5H-Dibenz(B,F)Azepine-5-Propanamine, 10,11-Dihydro-N,N-Dimethyl-2,8-Dinitro-

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Properties Simple | Detailed

Formula C19H22N4O4
IUPAC Name 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n,n-dimethyl-propan-1-amine
Molecular Mass 370.402 g·mol−1
Heat of Formation 122.2 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 436.38 Å 3
Surface Area 358.2 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-dinitroimipramine
  • 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n,n-dimethyl-propan-1-amine
  • 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-n,n-dimethylpropan-1-amine
  • 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine
CAS Number(s)
  • 80186-88-5
InChIKey MKXUVDRBPODBNG-UHFFFAOYSA-N
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