Formula |
C13H9ClN2O |
IUPAC Name |
3-chlorobenzo[b][1,4]benzodiazepine-5,11-diium-6-one |
Molecular Mass |
244.676 g·mol−1 |
Heat of Formation |
45.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.13 ± 1.08 D |
Volume |
266.45 Å 3 |
Surface Area |
246.8 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-1.13 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
- oprea1_816901
|
InChIKey |
YVWNDABPZGGQFE-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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|
Elements |
H
C
Cl
O
N
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