oClPhB(OMe)2 Single B Catalyst - TS3 Def2svpp
DOI: 10.14469/hpc/11951 Metadata
Created: 2022-11-27 21:35
Last modified: 2022-12-10 13:18
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
PhCOOH + PhCH2NH2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| opt-svpp-ok.log | 3MB | chemical/x-gaussian-log | |
| IRC-svpp-ok.zip | 10MB | application/zip | |
| IRC-svpp-ok.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for IRC-svpp-ok.zip |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11924 | oClPhB(OH)2 single B catalyst |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C14H17BClNO2.C14H14NO.C7H5O2.CH4O/c1-19-15(18,13-9-5-6-10-14(13)16)17-11-12-7-3-2-4-8-12;16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12;8-7(9)6-4-2-1-3-5-6;1-2/h2-10,18H,11,17H2,1H3;1-10H,11,15H2;1-5H;2H,1H3 |
| inchikey | NMXBDRRCUULTMV-UHFFFAOYSA-N |