1,5-Dihydro-6H-Pyrido[2,3-B][1,4]Benzodiazepin-6-On

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Properties Simple | Detailed

Formula C12H9N3O
IUPAC Name 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular Mass 211.219 g·mol−1
Heat of Formation 118.1 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 237.03 Å 3
Surface Area 224.25 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (6h)pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-
  • 5,11-dihydro-6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one
  • 5,11-dihydro-6h-pyrido[2,3-b][1,4]benzodiazepin-6-one
  • 6h-pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-
  • ls 75
  • oprea1_042957
CAS Number(s)
  • 885-70-1
InChIKey MIRBIZDDMSFTKY-UHFFFAOYSA-N
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