Ethyl (4As,10Bs)-3-Methyl-2,3,4,4A,5,6-Hexahydrobenzo[F]Isoquinoline-10B(1H)-Carboxylate

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Formula C17H23NO2
IUPAC Name ethyl (3r,4as,10bs)-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-10b-carboxylate
Molecular Mass 273.370 g·mol−1
Heat of Formation -340.8 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 345.18 Å 3
Surface Area 291.3 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,10bs)-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-10b-carboxylic acid ethyl ester
  • 3-methyl-10b-carbethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)isoquinoline
  • mcoi
CAS Number(s)
  • 119122-01-9
InChIKey AYAYHFUDSSAHOG-PBHICJAKSA-N
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