Dothiepin

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Properties Simple | Detailed

Formula C19H21NS
IUPAC Name (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethyl-propan-1-amine
Molecular Mass 295.442 g·mol−1
Heat of Formation 221.0 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 378.09 Å 3
Surface Area 323.4 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethyl-propan-1-amine
  • (3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethylpropan-1-amine
  • (3e)-3-dibenzo[b,e]thiepin-11(6h)-ylidene-n,n-dimethylpropan-1-amine
  • 1-propanamine, 3-dibenzo[b,e]thiepin-11(6h)-ylidene-n,n-dimethyl-
  • 3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethyl-propan-1-amine
  • 3-(6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethylpropan-1-amine
  • 3-(6h-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-amine
  • [(3e)-3-(6h-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethyl-amine
  • bpbio1_000391
  • oprea1_493999
  • trans-dothiepin
InChIKey PHTUQLWOUWZIMZ-GZTJUZNOSA-N
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Elements H S C N