9-Nitro-7,12-Dihydroindolo[3,2-D][1]Benzazepin-6(5H)-One

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Formula C16H11N3O3
IUPAC Name 9-nitro-7,10-dihydro-5h-indolo[3,2-d][1]benzazepin-12-ium-10-id-6-one
Molecular Mass 293.277 g·mol−1
Heat of Formation 71.6 ± 16.7 kJ·mol−1
Dipole Moment 9.87 ± 1.08 D
Volume 317.87 Å 3
Surface Area 288.97 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one
  • 9-nitro-7,12-dihydroindolo-[3,2-d][1]benzazepin-6(5)-one
  • 9-nitropaullone
  • alsterpaullone
  • alsterpaullone; 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5h)-one
  • atu
  • bio1_000009
  • bio1_000498
  • bio1_000987
  • cbiol_001723
  • hsci1_000007
  • k00062
  • paullone analog 1
InChIKey OLUKILHGKRVDCT-UHFFFAOYSA-N
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