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

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Properties Simple | Detailed

Formula C18H19NS
IUPAC Name (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n-methyl-propan-1-amine
Molecular Mass 281.415 g·mol−1
Heat of Formation 226.9 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 354.73 Å 3
Surface Area 308.69 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n-methyl-propan-1-amine
  • (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n-methylpropan-1-amine
  • 1-propanamine, 3-dibenzo(b,e)thiepin-11(6h)-ylidene-n-methyl-
  • [(3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)propyl]-methyl-amine
  • northiaden
InChIKey FTELXJYVTOFJAI-MHWRWJLKSA-N
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