(3Ar,9Bs)-3-Propyl-2,3,3A,4,5,9B-Hexahydro-1H-Benzo[E]Indole-9-Carboxamide

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Properties Simple | Detailed

Formula C16H22N2O
IUPAC Name (3ar,9bs)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide
Molecular Mass 258.359 g·mol−1
Heat of Formation -168.5 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 327.36 Å 3
Surface Area 287.55 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-benz(e)indole-9-carboxamide, 2,3,3a,4,5,9b-hexahydro-3-propyl-, (3ar-cis)-
  • 2,3,3a,4,5,9b-hexahydro-3-propyl-1h-benz(e)indole-9-carboxamide
  • u 93385
  • u-93385
  • u93385
CAS Number(s)
  • 147145-16-2
InChIKey JSZBRMZCAIJCKB-TZMCWYRMSA-N
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