2-(3-(3-Methoxy-4-Nitrophenyl)-11-Oxo-10,11-Dihydro-5H-Dibenzo(B,E)(1,4)Diazepin-8-Yl)-N,N-Dimethylacetamide

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Properties Simple | Detailed

Formula C24H22N4O5
IUPAC Name 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-benzo[b][1,4]benzodiazepine-5,11-diium-3-yl]-n,n-dimethyl-acetamide
Molecular Mass 446.455 g·mol−1
Heat of Formation -216.1 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 507.67 Å 3
Surface Area 442.15 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[c][1,5]benzodiazepin-3-yl]-n,n-dimethyl-acetamide
  • 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[c][1,5]benzodiazepin-3-yl]-n,n-dimethyl-acetamide
  • 2-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[c][1,5]benzodiazepin-3-yl]-n,n-dimethyl-ethanamide
InChIKey FDMSWGUJFDPKLS-UHFFFAOYSA-N
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