Lidocaine HCl + H2O, base form with methyl groups removed, -1189.942124
DOI: 10.14469/hpc/3244 Metadata
Created: 2017-11-11 07:48
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 | 320KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 41MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 4KB | 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/C12H18N2O.ClH.H2O/c1-3-14(4-2)10-12(15)13-11-8-6-5-7-9-11;;/h5-9H,3-4,10H2,1-2H3,(H,13,15);1H;1H2 |
| inchikey | ZXCVONHFMBVOBR-UHFFFAOYSA-N |