(3E)-3-(Dibenzo[B,E]Oxepin-11(6H)-Ylidene)-N-Methyl-1-Propanamine

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Properties Simple | Detailed

Formula C18H19NO
IUPAC Name (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n-methyl-propan-1-amine
Molecular Mass 265.350 g·mol−1
Heat of Formation 77.0 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 337.23 Å 3
Surface Area 304.29 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n-methyl-propan-1-amine
  • (3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n-methylpropan-1-amine
  • 1-propanamine, 3-dibenz(b,e)oxepin-11(6h)-ylidene-n-methyl-
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n-methyl-propan-1-amine
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)-n-methylpropan-1-amine
  • 3-(6h-benzo[c][1]benzoxepin-11-ylidene)propyl-methyl-amine
  • 3-dibenz(b,e)oxepin-11(6h)-ylidene-n-methyl-1-propanamine
  • [(3e)-3-(6h-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-amine
  • demethyldoxepin
  • desmethyl doxepin
  • desmethyldoxepin
  • dibenz(b,e)oxepin-delta11(6h),gamma-propylamine, n-methyl-
  • monodesmethyldoxepin
  • n-desmethyldoxepin
  • nordoxepin
InChIKey HVKCEFHNSNZIHO-MHWRWJLKSA-N
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