Formula |
C21H16N2O4 |
IUPAC Name |
2-methoxy-4-(6-oxobenzo[b][1,4]benzodiazepine-5,11-diium-9-yl)benzoic acid |
Molecular Mass |
360.363 g·mol−1 |
Heat of Formation |
-357.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.54 ± 1.08 D |
Volume |
405.71 Å 3 |
Surface Area |
364.25 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-methoxy-4-(6-oxo-5,11-dihydrobenzo[c][1,5]benzodiazepin-9-yl)benzoic acid
- 4-(6-keto-5,11-dihydrobenzo[c][1,5]benzodiazepin-9-yl)-2-methoxy-benzoic acid
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InChIKey |
OEIBPYXEHRSJOU-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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