| Formula |
C16H12BrN5 |
| IUPAC Name |
4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile |
| Molecular Mass |
354.204 g·mol−1 |
| Heat of Formation |
676.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.97 ± 1.08 D |
| Volume |
364.46 Å 3 |
| Surface Area |
314.21 Å 2 |
| HOMO Energy |
-9.89 ± 0.55 eV |
| LUMO Energy |
-1.33 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(4-bromobenzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile
- ym-511
|
| CAS Number(s) |
|
| InChIKey |
GGPPBTSXFROGAE-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
Br
N
|
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