(3E)-3-(9,10-Dihydro-4H-Benzo[4,5]Cyclohepta[1,2-B]Thiophen-4-Ylidene)-N,N-Dimethyl-1-Propanamine

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Formula C18H21NS
IUPAC Name (3e)-3-(4,5-dihydrobenzo[1,2]cyclohepta[2,4-b]thiophen-10-ylidene)-n,n-dimethyl-propan-1-amine
Molecular Mass 283.431 g·mol−1
Heat of Formation 206.8 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 360.03 Å 3
Surface Area 319.21 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanamine, 3-(9,10-dihydro-4h-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-n,n-dimethyl-
  • 3-(9,10-dihydro-4h-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-n,n-dimethyl-1-propanamine
  • 4-(3-dimethylaminopropylidene)-9,10-dihydro-4h-benzo(4,5)cyclohepta(1,2-b)thiophene
  • 4h-benzo(4,5)cyclohepta(1,2-b)thiophene, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-
  • ib 503
  • npl 82
CAS Number(s)
  • 14942-31-5
InChIKey ZDYPMKZEUSYJQI-LZYBPNLTSA-N
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