Formula |
C18H19ClN4O |
IUPAC Name |
3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5h-benzo[b][1,4]benzodiazepine |
Molecular Mass |
342.823 g·mol−1 |
Heat of Formation |
397.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.19 ± 1.08 D |
Volume |
395.19 Å 3 |
Surface Area |
336.53 Å 2 |
HOMO Energy |
-8.04 ± 0.55 eV |
LUMO Energy |
2.78 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-chloro-6-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5h-benzo[c][1,5]benzodiazepine
- 3-chloro-6-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5h-benzo[c][1,5]benzodiazepine
- 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5h-benzo[c][1,5]benzodiazepine
|
InChIKey |
WYRDWWAASBTJLM-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
O
Cl
|
|
|