PowerPoint Presentation

. . PROGRAM STUDI S1 KIMIA FAKULTAS MATEMATIKA DAN ILMU PENGETAHUAN ALAM UNIVERSITAS GARUT 2022.

Aplikasi yang digunakan. MolView. Avogadro. Orca.

. MolView. O (1) WhatsApp Google molview - Penelusuran Google X + x — chrom e&ie Kabut =UTF-8 e o O molview Q Semua Gambar @ Video sekitar 45800 (0.40 detik) https:,',jmolview.org • Terjemarlkan halaman ini MolView x Lainnya Q Alat MolView is an intuitive, Open-Source web-application to make science and education more Anda mengunjungi halarnan ini pada 20/12/21 Water Water is an oxygen hydride consisting ot an oxygen atom Ethanol Ethanol is a primary alcohol that is ethane in which one of the Methane Methane is a one-carbon compound in which the carbon Telusuran lainnya dari molview.org » MolView v2.2 manual Drawing structural formulas. MolView consists ot two main Ethane Ethane is an alkane comprising of two carbon atoms. Read the Terrns of Use 1 . Copyright MolView and The MolView Project are copyright of p Type here to search 0 190C SafeSearch aktif 10.36 ENG 07/01/2022.

. MolView. WhatsApp o o O molview.org 5 o MolView Tools Model v Protein Jmol moclJiew By closing this banner and using MolView, you agree with the Terms of Use! read the Terms of Use Close We need your support to create more cool stuff! Donate Cl Allow MolViewto collect annonymous usage data (details) YouTube channel MolView blog p Type here to search 0 260C Hujan ringan ENG o 10.36 WOI/2022.

. MolView. WhatsApp C molview.org Q niacinamide Niacinamide Nia cinamide [usan] Nia cinamide-n-oxide Nia cinamide glycolate Nia cinamide ascorbate Niacinamide hydrobromide Nia cinamide hydrochloride Niocinamide Nicotinamide Nialamide Acetamide Mackinawite Analcime Jacutingaite Riomarinaite Atacamite Minamiite Nickeline Nitratine p Type here to search Mom,'iew o MolView v Tools Compound Compound Compound Compound Compound Compound Compound Compound Compound Compound Mineral Mineral Mineral Mineral Mineral Mineral Mineral Mineral Mineral Model c o s Cl Protein Imol v 260C Hujan ringan ENG 10.36 WOI/2022.

. MolView. WhatsApp Q Niacinamide o o o o e p Type here to search Niacinamide o MolView Tools 20 to 3D Model v c o S Cl Protein Imol v o 0 26•c Hujan ringan 9.3 ENG 10.38 06/01 [2022.

. MolView. o o o WhatsApp C molview.org/?cid=936 Q Niacinamide o p Type here to search Niacinamide o MolView Tools LINK Embed EXPORT Model Protein Jmol Structural formula image 3D model image MOL file CHEMICAL DATA Information card Spectroscopy PubChem source ADVANCED SEARCH z Similarity c Substructure Superstructure 260C Hujan ringan ENG 10.39 WOI,'2022.

. MolView. WhatsApp C molview.org/?cid=936 Q Niacinamide p Type here to search Nicotinamide o o MolView v Tools Model Protein Nicotinamide Imol v Nicotinamide is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyItransferase) inhibitor, a metabolite, a cofactor, an antioxidant, a neuroprotective agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent, a Sir2 inhibitor, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a human urinary metabolite and a geroprotector. It is a vitamin 83, a pyridinecarboxamide and a pyridine alkaloid. It derives from a nicotinic acid. Formula Molecu lar weight Hydrogen bond donors Hydrogen bond acceptors Percent composition o 12.0107 U x 6 1.00794 u x 6 14.0067 u x 2 15.9994 u x I 260C C6H6N20 122.12u 2 59.009 % 4.9520 % 22.938 % 13.101 % Hujan ringan A 1040 ENG WOI/2022.

. MolView. WhatsApp C molview.org/?cid=936 Q Niacinamide p Type here to search Nicotinamide o o MolView Tools LINK Embed EXPORT Model Protein N Structural formula image 3D model image MOLfile CHEMICAL DATA Information card Spectroscopy l? PubChem source ADVANCED SEARCH Similarity c Substructure Superstructure o Jmol pyridinecarboxamide that is pyridine in which the ion 3 is replaced by a carboxamide group. It has a role as D(+) ADP-ribosyltransferase) inhibitor, a metabolite, a xidant, a neuroprotective agent, an EC 3.5.1.98 (histone bitor, an anti-inflammatory agent, a Sir 2 inhibitor, a erevisiae metabolite, an Escherichia coli metabolite, a e, a human urinary metabolite and a geroprotector. It is a dinecarboxamide and a pyridine alkaloid. It derives from a C6H6N20 122.12 u on ors cceptors sition 2.0107ux6 1.00794 u x 6 14.0067 x 2 15.9994U x 1 260C 2 59.009 % 4.9520 % 22.938 % 13.101 % Hujan ringan A 1041 ENG WOI/2022.

. Nicotinamide (3).rnol - Avogadro Edit View Build Select Extensions Crystallography x Settings Help Display Types Ball and Qick O Cartoon Dipole O Force Hydrogen Bond Label POI on Navigate Settings Display visud cues p Type here to search View 1 e cs A 280C 9.3 1108 ENG.

. Avogadro. Nicotinamide (3).rnol - Avogadro Edit View Build Select Extensions x o New to Display Types Axes Ball an Ü Cartool + Dipole O Force Hydro Label poi o Navigate Setti Z] Display v New View Duplicate View Detach View Close View Center Align View To Axes Full Screen Mode Reset Display Types Set Background Color... Projection Display Axes Debug Information I-Ise Quick Render All Molecules in File... Crystal View Options... Properties Crystallography Settings Help iew t Molecule Properties,., Atom Properties... Bond Properties... Angle Properties... Torsion Properties... Conformer Properties.,. 0 Settings... Messages cz cs 1109 p Type here to search 280C ENG.

. Avogadro. Bond Properties Type Bond 1 o-c Bond 2 N-C Bond 3 N-C Bond 4 Bond 5 Bond 6 Bond 7 c-c Bond 8 c-c Bond 9 c-c Bond 10 c-c Bond 11 Bond 12 x Start Ato m End Atom C4 Bond Order 2 1 2 1 1 1 1 2 1 2 1 Rotatable No No No No No No No Length (A) 1, 24444 1,35192 1,35192 1,39267 1,01207 1,0153 1,39037 1,3856 1,45252 1,39054 1,0866.

Microsoft Excel. No 1 NI-C3 NI-C6 N2-C5 N2-H5 N2-H6 CI-C2 CI-C3 CI-C5 C2-C4 C2-H1 C3-H2 C4-C6 C4-}B C6-H4 Senyawa Niacinamide (Nikotinamida) Panjang Ikatan nsratan o-C5 Literatur 1.24444 1.35192 1.35192 1.39267 1.01207 1.0153 1.39037 1.3856 1.45252 1.39054 1.0866 1.08271 1.38562 1.08402 1.085.

. Avogadro. Nicotinamide (3).mol - Avogadro Edit View Build Select Extensions x o New Display Types Ball anc Dipole O Force Hydrog Label Po o Navigate Setti Display v New View Duplicate View Detach View Close View Center Align View To Axes Full Screen Mode Reset Display Types Set Background Color... Projection Display Axes Debug Information Use Quick Render All Molecules in File... Crystal Vleuv Options... Properties Crystallography Settings Help Molecule Properties... Atom Properties... Bond Properties... Angle Properties... Torsion Properties... Conformer Properties... cs Messages 11.10 p Type here to search 280C ENG.

. Avogadro. Angle Properties x Sta rt Ato m Vertex Angle 1 Angle 2 Angle 3 Angle 4 Angle 5 Angle 6 Angle 7 Angle 8 Angle 9 Type CNC CNH CNH HNH ccc ccc ccc ccc CCH End Atom C4 HI Angle (0) 116,3680 125,503 119,412 114,904 117,9100 121,0367 121,0533 119, 7377 121,3831.

Microsoft Excel. No 2 wa Macinarnide Nikotinarrdd.a Sudut Ikatan Ikatan C3-N1-C6 C5-N2-H5 C5-N2-H6 H5-N2-H6 C2-C1-C3 C2-C1-C5 C3-C1-C5 CI-C2-C4 CI-C2-H1 C4-C2-H1 NI-C3-C1 NI-C3-H2 CI-C3-H2 C2-C4-C6 C2-C4-H3 C6-C4-H3 O-C5-N2 o-C5-C1 N2-C5-C1 NI-C6-C4 Literatur 116.3680 1255693 1194412 114.9894 1170100 121 ft367 121 fl533 1197377 121 3831 118 *792 111R886 124 n718 1170029 121M78 121 n692 120.7057 121.4918 117.7963 124.0418 115.1781 120.7801.

. Avogadro. Nicotinamide (3).mol - Avogadro File Edit View Build Select Extensions x New Duplicate View Detach View Close Center Align View To Axes Full Screen Mode Reset Display Types Setbackground Color... Projection Display Axes Debug Information Use Quick Render All Molecules in File,., Crystal Vievu Options... Properties Crystallography Settings Help Molecule Properties... Atom Properties... Bond Properties... Angle Properties... Torsion Properties... Conformer Properties... settings... Display Types Ball anc Cartool Dipole Force Hydrog Label Navigate Setti Display v messages p Type here to search 280C 9.3 ENG 11.12 WOI/2022.

. Avogadro. Torsion Properties Atom 1 Atom 2 Atom 3 Torsion 1 Torsion 2 Torsion 3 Torsion 4 Torsion 5 Torsion 6 Torsion 7 Torsion 8 Torsion 9 Torsion 10 Type CNCC CNCH CNCC CNCH HNCO HNCC HNCO HNCC cccc CCCH Atom 4 C4 o HI Torsion (0) -0.0047 179,9700 0,0009 179,9981 179,6935 0,5824 -0,4416 -179,5527 -0,0054 -179,9866.

Microsoft Excel. No 3 C3-C1-C2-C4 C3-C1-C2-H1 cs-C1-C2-C4 -C2-H1 C2-c1-c3-N1 C2-C1-C3-H2 cs-C1-C3-N1 -C3-H2 C2-C1-cs O C2-C1-cs-N2 C3-C1-cs O C3-C1-CS-N2 CI-C2-C4-C6 C4-H3 HI-C2-C4-C6 HI-C2-C4-H3 C2-C4-C6-N1 C2-C4-C6-H4 H3-C4-C6-H4 Senyav.ra Nacinamide (Nikotinamida) Subit Dihedral Ikataxt C6-N1-C3-C1 C6-N1-C3-H2 C3-N 1-C6-C4 C3-N1-C6-H4 HS-N2-CS-O HS-N2-CS-C1 H6-N2-CS-O H6-N2-CS-C1 C2- H3-C4-C6-N1 Literatux -o .0047 179.9700 0.0009 179.9981 179.693S 0.5824 -o .4416 -179.SS27 -o .00S4 -179.9866 -179.9989 0.0199 0.0070 -179.9646 -179.999S 0.0289 0.8909 179.9946 -179.1024 0.0013 0.0020 179.9993 179.9837 -0.0191 0.0004 -179.9967 -179.9969 0.0060.

. Avogadro. Nicotinamide (3).rnol - Avogadro Edit View Build Select Extensions Crystallography Settings x Help Save Display Types [3 Axes Ball and Stick Cartoon Dipole Force Hydrogen Bond Label POI on Navigate Settings Display visual cues p Type here to search Animation... Optimize Geometry Molecular Mechanics GAMESS Abinit.., Dalton... GAMESS-I_IK., Gaussian... MOLPRO... MOPAC.., NWChern.,. PS14,.. Q-Chem.,. Molecular Orbitals... QTAIM GLSL Shaders... Spectra... Create Surfaces... Ctrl *Alt+O 0 Generate Orca Input... 280C 9.3 11.13 ENG.

. Avogadro. Nicotinamide (3).mol - Avogadro Edit Vievv Build Select Extensions New Hopen H Save O Close Q Display Types Orca Input Parameters x Basic Advanced [3 Axes Ball and Stick [3 Cartoon [3 Dipole Force Hydrogen Bond Label Po on Duplicate Navigate Settings Dsplay visual cues Basis set Mihiplicity def2-svp Rernove Cornment Calculation Method Charge Format avogadro gerer Basic Mnd- xyz01 Sinde point Energy Cartesian o c c c c c c H -2.39400 1.76140 -2.40520 -0.29690 0.42610 0.41170 1.81610 -l. 74940 2.43020 -0.07200 -0.04880 2.40050 3.51190 -1.95620 1.11160 -1.22840 -1.18140 0.03970 ,22730 -1.15100 0.04720 -0.05350 2.19300 2.13090 2.10160 -0.13810 2.08840 -o.oossc -0.00340 0.00270 0.00240 o, 00390 -0.00130 O,OOIBD 0.00450 -0.00180 0.00700 -0.00330 0.00290 -0.00350 0.00840 Type here to search 280C ENG 11.14 MI [2022.

. Notepad. Nicotinamide (3).mol - Avogadro Edit View Build Select Extensions Cwtallography Settings Help O New 4:22:' Open Save O Close Quit x Display T po All Apps Documents Web Best match Notepad Search the web More p notepad - see web results Navigate Disp p notepad Notepad App Open niacinamide.out Niacinamide.inp.txt - in NIACINAMIDE Niacinamide.inp.txt - in D: tugas 13.txt h20.out [Indonesian] Fundamentals and applications of density fu... ondonesian (auto generated)] PENGGUNAAN DAN PEMBm ondonesian (auto-generated)) TEKNIK DASAR PROSES PE,.. 280C 11.16 ENG.

. Notepad. Niacinamide.inp - Notepad File Edit Format Vievv Help # avogadro generated ORCA input file Mode -e.@834€ e. 80398 -e. 80138 -8.80358 Ln 1, col 38 Windows (CRLF) 200C ENG o UT--8 11.20 x 1 83LYP * xyz c c c 6-31G(D) OPT FREQ 1 -2.394æ 1.76148 - 2 .405 28 8.41178 1.81610 - 1.74940 2.43828 -@.04380 3.51198 -1.95620 L. 11160 -1.22840 -L. 18140 0.03970 1.22730 L. 18860 0.04720 -8.5350 2. 19380 -2. 13090 2. L@L60 -o. 13810 -2 .08840 -1.20530 Type here to search.

. *Llntitled - Notepad File Edit Format View Help 't Thispc New folder DATA p Search DATA Date modified 07/01/2022 18.04 06/06/2020 15.52 18/01/2022 15.32 10/01/2022 D.17 18/01/2022 15.32 27/12/2021 20.45 06/06/2020 15.52 06/01/2022 11.29 29/10/2020 14.56 Save x O 5 1120 06/01/2022 x 3D Objects Desktop Documents Downloads Music Pictures Videos Local Disk DATA (D:) Name benzamide DATA KI-ILIAH kimkom fix New folder a niacinamide RANDOM SWFF REVISI BUKA YOxlsrn File name: niacinamide.inp Save as type: All Files Hide Folders Encoding: LITF-8 Cancel p Type here to search Ln 8, col 50 230C Windows (CRLF) Hujan ringan ENG.

. Command Prompt. u Untitled - Notepad File Edit Format View Help avogadro generated ORCA input Basic Mode file Web More x Command Prompt App Run as administrator file location Pin to Start Pin to taskbar Ln 8, col 50 230C 1 Windows (CRLF) Hujan ringan Q)) ENG o LIT-8 11.20 WOI/2022 X Documents * xyz 0 c C c c All Apps Best match Command Prompt App Search the web cooman - See web results command command prompt commando coomans commander command prompt admin Coomandook coomandook area school cooma 0.

. Command Prompt. Directory e2/11/2eae 06/B6/2eae 20/10/2eae 2B/ 10/2€2€ 28/10/2eae e2/11/2eae 20/10/2eze esye1/2€22 1B/1ö/2eze ewe7/aeae e6/B1/2€22 eoye1/2€22 e6/B1/2€22 29/10/2€2€ 10/07/2eae e6/B6/2eae e9/11/zeze 18/10/2eae 28/B2/ze21 27/e7/aeae 22/97/2eae 13/97/2eae Command Prompt- orca niacinamide.inp (c) microsoft Corporation. All rights reserved. Volume in drive D is DATA Volume Serial Number is 4E06-A8eO 14.56 14.54 21.36 83 . €54 15 .52 11.35 108 . 365 11.35 126 . 922 09 .46 21.31 198 . 11.35 192. ege 15.37 22 . 15 me. 841 13 .58 525 . 2e.51 .53 -ae. 24 .49 11 . €4 07 .36 4e.616 15 .52 22. 16 148 . e18 08 . eg 15 .34 .47 768 . 08 . 54 79.37e 1.142. ege. of D: \ 14.318 15 . 101 18 . . 336 515 868 808 5 . 824 1. . 367 . 233 292 1. 154. 224 le .956.386 BUKA YO .xlsm BUKA .xlsm BUKTI PEMBAYARAN IJEPT . docx DATA KUL IAH Foto.pdf Ijazah . pdf 1.1 (1) .exe KARTU UJIAN UEPT.pdf KTP . pdf Local Disk (C) - Shortcut. Ink L PJ EDD 2B2e.docx materi . docx New folder niacinamide niacinamide. inp niacinamide . . txt Orca pake ini.jpg PERNYÅTÅAN KESEDIAAN PENELITIAN.docx RANDOM STUFF rekaman training .wma RESEARCH PROPOSAL FINAL Deni sultan santanu . docx resume . xlb•.J SKRIPSI LENGKÅP.pdf sksipsi aisyah .docx surat i jin penelitian . docx SURAT PERMOHONAN UJIAN SUSULAN.pdf 451 bytes 22 File(s) 5 Dir(s) niacinamide 128.199.577 .oeo bytes free D: niacinamide. inp > niacinamide. out p Type here to search ENG 1121 MI [2022.

. niacinamide Home Share View x o ThisPC DATA Name niacinamide Search niacinamide * Quick access OneDrive 3D Objects • Desktop 8 Documents Downloads Music Pictures Videos Local Disk (C:) _ DATA Newvork 36 items niacinamide.cold,tmp niacinamide.diis.tmp niacinamide.E.tmp niacinamide.excO.tmp niacinamide.f0.tmp niacinamide,fsv.tmp niacinamide Abw niacinamide.ghess.tmp niacinamide.ginp.tmp niacinamide.grad.tmp niacinamide.grh00.tmp niacinamide,grhofO,tmp niacinamide,grid.trnp niacinamide.gridf.tmp niacinamide.gu.tmp Niacinamide.inp niacinamide.int.tmp niacinamideKtmp niacinamide,opt niacinamide.out niacinamide.pO.tmp niacinamide,prop niacinamideStmp niacinamide.scfp niacinamide.Stv112,tmp Date modified 06/01/2022 11.23 06/01/2022 11.23 11.23 06/01/2022 11.21 06/01/2022 11.21 11.23 11.23 06/01/2022 11.23 06/01/2022 11.23 11.23 06/01/2022 11.23 06/01/2022 11.23 11.23 11.21 06/01/2022 11.23 06,'01/2022 11.21 22.59 11.23 06/01/2022 22.53 06/01/2022 11.23 11.23 06/01/2022 11.23 06/01/2022 22.58 11.23 22.59 06/01/2022 11.23 06/01/2022 11.21 11.23 Type File File File File File File File GBW File File Thilp File File File File n..lp File File File File File INP File File Trvlp File OPT File OUT File File PROP File File scFP File File Size lag KB 1.119 KB 525 KB 75 KB 75 KB 36 KB 576 576 KB 4.674 KB 20 KB 75 KB 11 KB 1.104 KB 75 KB 75 KB 75 KB 75 KB 75 KB Type here to search 1123 ENG 06/01/2022.

. Task Manager. FILE Paste 25 26 28 29 30 - INSERT DESIGN TRANSIIIONS CZILayout. ANIMATIONS PowerPointHub-Minimal Brown.pptx SLIDE SHOW REVIEW VIEW Task Manager App - PowerPoint (Product Activation Failed) Text Direction • Sign in Shape Fill • All Apps Best match Documents Web More Task Manager App Apps Task Scheduler Search the web P task - See web results Settings (7+) Documents (12+) Run as administrator Open file location -E pin to Start pin to taskbar SLIDE 2' p taskl h Find 1122 ENG.

. Task Manager. Task Manager File Options Vleuv Processes Performance App histoy Name orca.exe orca_scfgrad.exe PresentationFontCache,exe Runtime Broker Runtime Broker Runtime Broker Runtime Broker o x Startup Users Status Details > > Search Spooler SubSystem App Start System Guard Runtime Monitor„. TeamViewer TeamViewer e TeamW1ewer TeamViewer (32 bit) User OOBE Broker Usermode Font Driver Host Windows Audio Device Graph ls„. Windows Command Processor Windows Default Lock Screen Services 96% CPU 57, 7% 0% 0% 0% 0% 0% 0% 0 Memory 145 MB 03 MB 1.2 MB Z2 MB MB 5.6 MB 10,4 MB 0.8 01 MB 3,5 MB 43 MB Disk 01 MB's O MB,'s O MB,'s O MB,'s Network O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps O Mbps Power usage Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Power usage Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low Very low 6) Fewer details p Type here to search wc ENG End task 11.22 MI /2022.

. Command Prompt. Command Prompt D: \ > dir Volume in drive D is DATA Volume Serial Number is 4E-e6-A806 14.56 21.36 83 . 054 15.52 11.35 1€8.365 11.35 120 . 922 09.46 21.31 198 . 222 11.35 192 . 080 15.37 22.15 240.841 13.58 525 . 036 2B .51 . 24 20 .49 .45 11. B4 07.36 40.616 15.52 10. eo 22.16 148.018 08. eg IS .34 20.47 768.962 79.370 1.142. ego. Directory 29/1e,qeze 29/1eneae 02/11/2B2B 2B/1eneae 28/1eneae 02/11/2B2B aeneneae e6/B1/2B22 10/10/2eze el/B7/aeae 06/B1/2B22 e6/B1/2B22 eote1,'ze22 27/12/2921 29/10/2B2B 10/07/2eae e6/B6/2B2B 09/11/2020 18/1eneae 28/02/2021 27/07/2e-ze 22/97/2929 13/e7/aeae of D: \ (DIR> 18 . . 336 1. leg .367.233 1.154. 10. 956.386 14.318 15 . lei 515 868 868 5 . 824 292 224 BUKA yo.xlsm BUKA . xlsm BIJKTI PEMBAYARAN IJEPT . docx DATA KUL IAH Foto. pdf Ijazah . pdf iVCam_x64 \/6. 1.1 (1) .exe KARTU UJIAN UEPT . pdf KTP . pdf Local Disk (C) - Shortcut . Ink LPJ EDO zeae.docx materi . docx Neta' folder niacinamide niacinamide . inp niacinamide . inp . txt Orca pake ini.jpg PERNYATAAN KESEDIAAN PENELITIAN.docx RANDOM STUFF rekaman training.wma RESEARCH PROPOSAL FINAL Deni sultan santanu resume . SKRIPSI LENGKAP.pdf sksipsi aisyah .docx surat i jin penelitian . docx SURAT PERPIOHONAN SUSULAN.pdf 451 bytes Blaelseas . docx 22 File(s) 5 Dip(s) niacinamide 128.199.577 .cee bytes free niacinamide. inp > niacinamide. out p Type here to search 190C 1529 ENG WOI/2022.

. Home niacinamide Share x View o lhispc DATA Name niacinamide Search niacinamide * Quick access OneDrive pc 3D Objects Desktop 8 Documents Downloads Music Pictures Videos Local Disk DATA N etaork 10 items niacinamide, engrad niacinamide.gbw niacinamide. hess Niacinamide.inp niacinamide, opt niacinamide, out niacinamide, prop niacinamide,xyz niacinamide_property.et niacinamide_trj.xyz Date modified 06/01/2022 11.5B 06/01/2022 11.58 06/01/2022 11 AO 06/01/2022 22.53 06/01/2022 11.56 06/01/2022 11.40 06/01/2022 22.59 06/01/2022 11.56 06/01/2022 11.40 06/01/2022 11.58 Type ENGRAD File GBW File HESS File INP File OPT File OUT File PROP File File Text Document File Size 634 Ka 117 KB 437 KB 26 Ka 12 Type here to search 1530 ENG 06/01/2022.

. Notepad. File Edit niacinamide.out - Notepad 9828.967 0.5 20.835 Ln 1, Col 1 o x Format View Help 18 | 12 | FREE S (rot) = S (rot) = S (rot) = S (rot) = S (rot) = S (rot)- ENERGY 8.81178158 Eh o. 01165542 0.01154421 Eh 0.0114-4473 Eh 8.01135474 Eh 0.01127259 Eh 7. 39 7. 31 7 . 24 7 . 18 7 . 13 7. 07 kcal/mol I kcal/mol I kcal/mol I kcal/mol I kcal/mol I kcal/mol I GIBBS The Gibbs free energy is G Total enthalpy Total entropy correction Final Gibbs free energy -416.61665849 Eh Eh -416.65688216 Eh -25.24 kcal/mol For canpLeteness - the Gibbs free energy minus the electronic enerv G-E(e1) Timings for individual modules : Sum of individual times GTO integral calculation SCF iterations SCF Gradient evaluation Geanetry relaxation Analytical frequency calculation... e. 88425992 Eh 52.87 kcal/mol 1258. 6114. TERMINATED 5@.124 sec 2394.47@ sec @94 19.536 743 sec sec (z 163.816 o. 835 39. o. 326 912 min) min) min) min) min) min) 24. 12. 7 0.2 % 62.2 % NOR MA I-LY * * TOTAL RUN TIME: days 2 hours 44 minutes 9 seconds 421 msec p Type here to search Windows (CRLF) 19•C ENG IJTF-8 15.30 MI 12022.

. Home niacinamide Share x View o lhispc DATA Name niacinamide Search niacinamide * Quick access OneDrive pc 3D Objects Desktop 8 Documents Downloads Music Pictures Videos Local Disk DATA N etaork 10 items niacinamide, engrad niacinamide.gbw niacinamide. hess Niacinamide.inp niacinamide, opt niacinamide, out niacinamide, prop niacinamide,xyz niacinamide_property.et niacinamide_trj.xyz Date modified 06/01/2022 11.5B 06/01/2022 11.58 06/01/2022 11 AO 06/01/2022 22.53 06/01/2022 11.56 06/01/2022 11.40 06/01/2022 22.59 06/01/2022 11.56 06/01/2022 11.40 06/01/2022 11.58 Type ENGRAD File GBW File HESS File INP File OPT File OUT File PROP File File Text Document File Size 634 Ka 117 KB 437 KB 26 Ka 12 Type here to search 1530 ENG 06/01/2022.

. Avogadro. niacinamide,xyz - Avogadro Edit View Build Select Extensions Crystallography New Save O Close Quit : x Settings Help Display Types Ball and Stick Cartoon O Dipole Force Hydrogen Bond Label Navigate Settings Display visual cues p Type here to search View 1 cs Messages 190C 15.33 ENG MI 12022.

. Avogadro. niacinamide.xyz - Avogadro Edit View Build Select x Extensions Display Types Ball ant Cartool Dipole [D Force Hydrog Label Navigate Setti Display v New Duplicate View Detach View Close Vleuv Center Align Vievv To Axes Full Screen Mode Reset Display Types Set Background Color... Projection Display Axes Debug Information Use Quick Render All Molecules in File,., Crystal View Options... Properties Crystallography Settings Help iev.v 1 Molecule Properties... Atom Properties... Bond Properties.., Angle Properties... Torsion Properties... Conformer Properties... cs Messages p Type here to search A a 190C 15.34 ENG WOI/2022.

. Avogadro. Bond Properties Type Bond I o-c Bond 2 H-C Bond 3 C-N Bond 4 c-c Bond 5 c-c Bond 6 C-N Bond 7 N-C Bond 8 c-c Bond 9 Bond 10 c-c Bond II Bond 12 Sta tt Ato m NI End Atom 1-44 Bond Order 2 1 2 1 1 1 1 2 1 2 1 Rotatable No No No No No No No No No Length (A) 1.22483 1,08962 1.33778 1,40152 1,503 1,37393 1,33886 1,40012 1,08948 1,39795 1,08567.

Microsoft Excel. Latan o-C5 NI-C3 NI-C6 N2-C5 N2-H5 N2-H6 1 CI-C2 CI-C3 CI-C5 C2-H1 C3-H2 C4-C6 C4-H3 C6-H4 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 Senyawa Macinamide Panjang Ikatan Literatur 1 24444 1 35192 1 35192 1 39267 1 01207 101530 1 39037 1 38560 1 45252 1 39054 1 08660 108271 1 38562 1 08402 1 08500 Komputasi 1 12483 133778 1 33886 1 37393 1 n0949 1 fi1187 1 40012 140152 150300 1 39045 1 fi8567 1 08962 1 39795 1 08618 1 fi8948.

. Avogadro. niacinamidexyz - Avogadro Edit View Build Select x Extensions Display Types Ball Cartool O Dipole Force Hydrog Label Navigate Setti Display v New VI ew Duplicate View Detach View Close View Center Align To Axes Full Screen Mode Reset Display Types Set Background Color... Projection Display Axes Debug Information Use Quick Render All Molecules in File,., Crystal View Options... Crystallography Settings Help ievv 1 Molecule Properties... Atom Properties... Bond Properties... Angle Properties... Torsion Properties... Conformer Properties... Properties p Type here to search Messages 190C 15.35 ENG MI /2022.

. Avogadro. Angle Properties x Start Atom Ve ttex Angle 1 Angle 2 Angle 3 Angle 4 Angle 5 Angle 6 Angle 7 Angle 8 Angle 9 Type CNC CNH CNH ccc ccc ccc CCH ccc End Atom HI C4 Angle (0) 117,2012 115,4737 120,9528 116,7576 1243113 117,003 117,9851 118,7350 118,9750.

Microsoft Excel. Sen 2 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 18 20 21 wa Mac inarnide Sudut Ikatan Ikatan C3-N1-C6 C5-N2-H5 C5-N2-H6 H5-N2-H6 C2-C1-C3 C2-C1-C5 C3-C1-C5 CI-C2-H1 C4-C2-H1 NI-C3-C1 NI-C3-H2 CI-C3-H2 C2-C4-C6 C2-C4-H3 C6-C4-H3 O-C5-N2 o-C5-C1 N2-C5-C1 NI -C6-C4 NI-C6-H4 C4-C6-H4 Literatur 1167680 1255693 1194412 114.9894 1170100 1210367 121 n533 1 193377 1213831 1 18 *792 124 n396 111R886 124 .0718 1170029 121.0278 121M92 1203057 121 4918 117.7963 124 n418 115.1781 1207801 Kom utasi 1179012 1208528 1154737 116.7576 1176903 1170851 124.3113 1180750 1187350 1223900 1204041 115.1694 1203789 1184302 121.2653 1203045 1218525 1215557 116.4799 1236531 1150421 1204041.

. Avogadro. niacinamide,xyz - Avogadro Edit View Build Select x Extensions o New Display Types O Axes Ball Cartool Dipole Force Hydrog Label Navigate Setti Display v New View Duplicate View Detach View Close View Center Align View To Full Screen Mode Reset Display Types Set Background Color... Projection Display Axes Debug Information Use Quick Render All Molecules in File... Crystal Vlevv Options... Pro petties Crystallography Settings Help Molecule Properties.., Atom Properties... Bond Properties... Angle Properties... Torsion Properties... Conformer Properties... Messages p Type here to search e A a 19•c ENG 15.36 MI 12022.

. Avogadro. Torsion Properties x Atom 1 H2 NI NI N2 Atom 2 Atom 3 Atom 4 Torsion I Torsion 2 Torsion 3 Torsion 4 Torsion 5 Torsion 6 Torsion 7 Torsion 8 Torsion 9 Torsion 10 Type HCNC CCNC HCCC HCCC NCCC NCCC occc occc NCCC NCCC Torsion C) 177,9321 -0,3476 1,9302 -176,7148 -179,B21 1,4729 -163,3491 15,2922 15,4156 -165,9431.

Microsoft Excel. Ikatan C6-N1-C3-C1 C6-N1-C3-H2 C3-N1-c6-C4 C3-N1-C6-H4 HS-N2-CS-O HS-N2-CS-C1 H6-N2-CS-O H6-N2-CS-C1 C3-C1- C2-C4 C3-C1-C2-H1 CS-Cl- C2-C4 CS-CI-C2-H1 C2-C1-C3-N1 3 C2-C1-C3-H2 -C3-N1 CS-CI-C3-H2 C3-C1-cs-N2 C4-C6 CI-C2-C4-H3 HI-c2-c4-c6 HI-C2-C4-H3 1 2 3 4 6 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 26 27 28 Senyav,ra cinamide Sudut Dihedral C2-C1-cs-o C2-C1-CS-N2 C3-C1-cs-o C2- C2- C2- H3- H3- C4-C6-N 1 C4-C6-H4 C4-C6-N 1 C4-C6-H4 Literatux -o .0047 179.9700 0.0009 179.9981 179.6935 0.5824 -0.4416 -179.5S27 -o .00S4 -179.9866 -179.9989 0.0199 0.0070 -179.9646 -179.9995 0.0289 0.8909 179.9946 -179.1024 0.0013 0.0020 179.9993 179.9837 -o .0191 0.0004 -179.9967 -179.9969 0.0060 Komputasi -0.3476 177.9321 -0.8119 179.4990 -159.1580 22.0826 -9.0190 172.2216 -1.4421 178.4972 179.82S3 -0.2354 -176.7148 -179.8821 -179.8821 1.9302 15.2922 -165.9431 -163.3491 15.4156 0.4109 -179.6012 -179.S262 0.4617 o .77S8 -179.5483 -179.2122 o .4637.

Menentukan % Error. B 1 c 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 Sen awaMacjnanude Panjang fl<atan Ikatan o-C5 NI-C3 NI-C6 N2-C5 N2-H5 N2-H6 CI-C2 CI-C3 CI-C5 C2-C4 C2-H1 C3-H2 C4-C6 C4-H3 C6-H4 Literatur 1.24444 1.35192 1.35192 1.39267 1.01207 1.01530 1.39037 1.38560 1.45252 1.39054 1.08660 1.08271 1.38562 1.08402 1.08500 Komputasi 1.22483 1.33778 1.33886 1.37393 1.00949 1.01187 1.40012 1.40152 1.50300 1.39045 1.08567 1.08962 1.39795 1.08618 1.08948 % Error 1.575809199 1.045919877 0.966033493 1.345616693 0.254923078 0.337831183 -0.701252185 -1.148960739 -3.47533941 0.006472306 0.085588073 -0.638213372 -0.889854361 -0.199258316 -0.412903226.

Microsoft Excel. N2_H6 C2-C4 2 1 2 3 4 5 6 7 8 10 11 12 13 14 15 16 17 18 18 20 21 22 Sudut Ikatan C3-N1-C6 C5-N2-H5 C5-N2-H6 C2-C1-C3 C2-C1-C5 C3-C1-C5 CI-C2-H1 C4-C2-H1 NI-C3-C1 NI-C3-H2 CI-C3-H2 C2-C4-C6 C2-C4-H3 C6-C4-H3 O-C5-N2 o-C5-C1 N2-C5-C1 NI-C6-C4 C4-C6-H4 116.3680 125.5693 1194412 114.9894 1179100 121.0367 121.0533 1 19.7377 121.3831 118.8792 124.0396 111.8886 124 n718 117.9029 121 n278 121.0692 1207057 121.4918 1177963 124 n418 115.1781 1207801 117.2012 1200528 1154737 116.7576 1176903 117.9851 1243113 118.9750 1187350 122.2900 120 4041 115.1694 1207789 1184302 1219653 120.3045 1210525 1215557 1164799 1236531 115.9421 1204041 -07160044 3676455949 3321718134 -1537706954 o. 186328556 2.521218771 -2.691376443 o. 636975656 2.181605182 -2*69131017 2.930918836 -2.932202208 2.654027748 -0447232426 -o. 196235906 0.631622246 -1 n32925537 -on52596142 1.117522367 0.313362109 -O. 663320544 0.311309562.

Microsoft Excel. cs-N1-c3-c1 1-C3-H2 C3-N C3-N1-C6-H4 H6-N2-CS-C1 C3-C1-C2-C4 C3-C1-C2-H1 -C2-H1 C2-C1-C3-N1 3 C2-C1-C3-H2 cs-C1-C3-N1 CS-CI-C3-H2 C2-C1 -CS-o c2-c1-cs-N2 -cs-o C3-C1-CS-N2 CI-C2-C4-C6 CI-C2-C4-H3 HI -C2-C4-C6 HI-C2-C4-H3 C2-C4-C6-N1 C2-C4-C6-H4 H3-C4-C6-N1 H3-C4-C6-H4 1 2 3 4 6 8 9 10 11 12 13 14 16 17 18 19 20 21 22 23 24 26 27 28 HS-N2-CS-O HS-N2-CS-C1 H6-N2-CS-O Subat Dihedral -0.0047 179.9700 o .0009 179.9981 179.693S o .5824 -0.4416 -179.SS27 -0.0054 -179.9866 -179.9989 0.0199 O .0070 -179.9646 -179.9995 O .0289 o .8909 179.9946 -179.1024 0.0013 o .0020 179.9993 179.9837 -0.0191 O .0004 -179.9967 -179.9969 O .0060 -0.3476 177.9321 -0.8119 179.4990 -159.1580 22.0826 -9.0190 172.2216 -1.4421 178.4972 179.82S3 -0.2354 -176.7148 -179.8821 -179.8821 1.9302 15.2922 -165.9431 -163.3491 15.4156 0.4109 -179.6012 -179.5262 0.4617 0.7758 -179.5483 -179.2122 0.4637 -7295.74468 1 .132355393 0.277280705 188.5719294 -3691.6ssn -1942.34601 195.9170205 -2660S.sss6 199.172494 199.903sss 1282.914573 2524597.143 0.045842349 0.065222403 -6378.89273 -1616.48894 192.1933769 8.79569453 -1185715.38 -20445 199.7788325 199.7458103 2517.277487 -193850 0.249115678 0.435951953 -7628.33333.

Menentukan % Deviasi. a No 1 c 1 2 3 4 5 6 8 9 10 11 12 13 14 15 Sen awa Bhacmamide ang Ikatan ncatan o-C5 N2-C5 N2-H5 N2-H6 CI-C2 CI-C5 C2-H1 C3-H2 C4-C6 C4-H3 C6-H4 Literatur 1 24444 1 35192 1 35192 1 39267 1 01207 1 01530 1 39037 1 38560 1 45252 1 39054 1 08660 1 08271 1 38562 1 08402 1 08500 Kom utasi 1 22483 1 33778 1 33886 1 37393 1 00949 1 01187 1 40012 1 40152 1 50300 1 39045 1 08567 1 08962 1 39795 1 08618 1 08948 % Error 1575809199 1 045919877 0066033493 IR45616693 0 254923078 0337831183 -070125218 -I. 14896074 -347533941 0006472306 0085588073 -063821337 -028985436 -o A 9925832 -041290323 % Deviasi 0013866364 000999849 0009234815 0013251181 0001824335 0002425376 0006894291 125714 003569475 636396E-05 0000657609 0ß04886108 0008718627 0001527351 0003167838.

Microsoft Excel. 2 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 18 20 21 Sudut Ikatan C3-N1-C6 C5-N2-H5 C5-N2-H6 H5-N2-H6 C2-C1-C3 C2-C1-C5 C3-C1-C5 CI-C2-C4 CI-C2-H1 C4-C2-H1 NI-C3-C1 NI-C3-H2 c 1-C3-H2 C2-C4-C6 C2-C4-H3 C6-C4-H3 O-C5-N2 o-C5-C1 N2-C5-C1 NI-C6-C4 NI-C6-H4 C4-C6-H4 1163680 1255693 119.4412 114.9894 117.9100 1210367 121.0533 1193377 121 3831 1188792 124 0396 111 8886 124 0718 1170029 121 0278 121 0692 1207057 121 4918 1177963 124 n418 115.1781 1207801 1179012 1200528 1154737 1167576 117.6903 1170851 124.3113 1188750 118.7350 1229900 120.4041 115.1694 120.7789 1184302 1210653 120 *045 1210525 1215557 1164799 1236531 1150421 1204041 -0.7160044 3676455949 3.321718134 -1 537706954 o. 186328556 2521218771 -2.691376443 o. 636975656 2.181605182 -2 *69131017 2.930918836 -2832202208 2654027748 -0447232426 -o. 196235906 0631622246 -1.032925537 -on52596142 17522367 0 313362109 -o. 663320544 0 311309562 0 58916137 3 764358455 2.805446154 1 05030621 2.157807053 2.303753893 O '39310342 1.872489467 2411799809 2.570686703 2 32843192 o *72857406 o. 167937861 0540724556 O *81620735 o. 045184123 0030835367 0 974852406 0540229581 0 96587215.

Microsoft Excel. C6-N1-C3-C1 C6-N1-C3-H2 C3-N1-C6-C4 C3-N1-C6-H4 C3-C1-C2-C4 C3-C1-C2-H1 cs-C1-C2-C4 C5-C1-C2-H1 C2-C1-C3-N1 3 C2-C1-C3-H2 C5-C1-C3-N1 C5-C1-C3-H2 C2-C1-C5-o C2-C1-C5-N2 C3-C1-C5-o C3-C1-C5-N2 CI-C2-C4C6 CI-C2-C4-H3 HI -C2-C4H3 1 2 3 4 5 6 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 Sudut Dihedral H5-N2-C5-O HS-N2-C5-C1 H6-N2-C5-O H6-N2-C5-C1 C2_C4-C6 C2-C4-C6-N1 C2-C4-C6-H4 H3-C4-C6-N1 H3-C4C6-H4 -0.0047 o .OOC19 179.9981 179.6935 —0 4416 -179.5527 -0.0054 -1799866 -1799989 013199 0.0070 -179.9646 -1799995 o .0289 o .8909 179.9946 -179.1024 0.0013 179.9993 179.9837 -0.0191 O .OOC14 -1799967 -179.9969 o .0060 -o .3476 177.9321 -08119 179 4990 -159.1580 22.0826 -90190 172 3216 178.4972 179.8253 -o .2354 -176.7148 -179.8821 -179.8821 1.9302 15.2922 -165.9431 -163.3491 15.4156 0.4109 -179.6012 -179.5262 0.4617 0.7758 -179.5483 -179.2122 0.4637 -7295.744681 1.132355393 o .277280705 188.5719294 -3691.65522 -1942346014 1950170205 -26605.55556 199.172494 199903555 1282.914573 2524597.143 0.045842349 0.065222403 -6578.892734 -1616.488944 1921933769 839569453 -1185715.385 -20445 199.7788325 199 7458103 2517.277487 -193850 0.249115678 0.435951953 -7628.333333 0.242466915 1.441012909 0.574736392 0352916994 239.6041935 15.20293722 6.065137705 248.741993 1.015900313 253.4863259 254.4341319 0.180524361 124.9611832 0.058336309 0083014336 1.344422123 10.18325689 244.6148935 1 1.13926526 10.89955606 0.289135963 254.2759521 254.2118882 O .33997694 0.548290598 0.317066681 0.554866691 0.323642774.

. . THANK YOU. Jangan Lupa Like, Comment, Subcribe, and Share .