11-Ethyl-6-Methyl-9-Nitro-6,11-Dihydro-5H-Pyrido[2,3-B][1,5]Benzodiazepin-5-One

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Properties Simple | Detailed

Formula C15H14N4O3
IUPAC Name 11-ethyl-6-methyl-9-nitro-pyrido[3,2-c][1,5]benzodiazepine-6,11-diium-5-one
Molecular Mass 298.297 g·mol−1
Heat of Formation 79.9 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 334.05 Å 3
Surface Area 296.75 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1051u91
  • 11-ethyl-6-methyl-9-nitro-5-pyrido[3,2-c][1,5]benzodiazepinone
  • 11-ethyl-6-methyl-9-nitro-pyrido[3,2-c][1,5]benzodiazepin-5-one
  • 6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one
  • n11-ethyl-n6-methyl-9-nitro-6,11-dihydro-5h-pyrido(2,3-b)(1,5)benzodiazepin-5-one
  • n11-ethyl-n6-methyl-9-nitro-6,11-dihydro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one
  • pyridobenzodiazepinone deriv. 42
  • u05
CAS Number(s)
  • 132687-06-0
InChIKey YCFJZPGDTZVVSM-UHFFFAOYSA-N
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