Lidocaine HCl + H2O, ionic form, iso1
DOI: 10.14469/hpc/3208 Metadata
Created: 2017-10-27 08:33
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 8KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 4MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 54MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 5KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C14H23N2O.Cl.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9,16H,5-6,10H2,1-4H3,(H,15,17);;1H2 |
inchi | InChI=1S/C14H26ClN2O2/c1-5-17(6-2,20-15-21-19)10-13(18)16-14-11(3)8-7-9-12(14)4/h7-9,15,19H,5-6,10H2,1-4H3,(H,16,18) |
inchi | InChI=1S/C14H23N2O.Cl.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9,16H,5-6,10H2,1-4H3,(H,15,17);;1H2 |
inchikey | WCTBTDOSXUXJKJ-UHFFFAOYSA-N |
inchikey | JBIROHRKNOSFSI-UHFFFAOYSA-N |
inchikey | WCTBTDOSXUXJKJ-UHFFFAOYSA-N |