2-Methoxy-4-(11-Oxo-10,11-Dihydro-5H-Dibenzo[B,E][1,4]Diazepin-3-Yl)Benzoic Acid

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Properties Simple | Detailed

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
Synonyms
  • 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
InChIKey OEIBPYXEHRSJOU-UHFFFAOYSA-N
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