3-Benzofuro[3,2-C][1]Benzoxepin-6(12H)-Ylidene-N,N-Dimethyl-1-Propanamine

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Properties Simple | Detailed

Formula C21H21NO2
IUPAC Name (3z)-3-(12h-benzofuro[3,2-c][1]benzoxepin-6-ylidene)-n,n-dimethyl-propan-1-amine
Molecular Mass 319.397 g·mol−1
Heat of Formation 22.6 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 390.84 Å 3
Surface Area 344.25 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(12h-benzofuro(3,2-c)(1)benzoxepin-6-yliden)-n,n-dimethylpropylamin
  • n,n-dimethylbenzofuro(3,2-c)(1)benzoxepin-delta6(12h),gamma-propylamine
  • oxetorone
CAS Number(s)
  • 26020-55-3
InChIKey VZVRZTZPHOHSCK-YVLHZVERSA-N
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