Lidocaine HCl + H2O, ionic form
DOI: 10.14469/hpc/3205 Metadata
Created: 2017-10-25 08:04
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 | 407KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 53MB | 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 |
| inchikey | WCTBTDOSXUXJKJ-UHFFFAOYSA-N |