| Formula |
C19H19N3O3 |
| IUPAC Name |
tert-butyl 8-ethynyl-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
| Molecular Mass |
337.372 g·mol−1 |
| Heat of Formation |
-88.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.27 ± 1.08 D |
| Volume |
403.54 Å 3 |
| Surface Area |
353.41 Å 2 |
| HOMO Energy |
-9.57 ± 0.55 eV |
| LUMO Energy |
-1.60 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 8-ethynyl-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
- 8-ethynyl-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
- pdsp1_001781
- pdsp2_001764
|
| InChIKey |
YTUMMZANIYQNOM-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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