(4Ar,10Br)-4-Benzyl-9-Methoxy-1,2,3,4,4A,5,6,10B-Octahydrobenzo[F]Quinoline

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Formula C21H25NO
IUPAC Name (4s,4ar,10br)-4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1h-benzo[f]quinoline
Molecular Mass 307.429 g·mol−1
Heat of Formation -11.1 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 392.31 Å 3
Surface Area 338.67 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10br)-4-(benzyl)-9-methoxy-2,3,4a,5,6,10b-hexahydro-1h-benzo[f]quinoline
  • (4ar,10br)-9-methoxy-4-(phenylmethyl)-2,3,4a,5,6,10b-hexahydro-1h-benzo[f]quinoline
  • 9-methoxy-4-benzyl-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinoline
  • benzo(f)quinoline, 1,2,3,4,4a,5,6,10b-octahydro-9-methoxy-4-(phenylmethyl)-, trans-
  • hw 173
  • hw-173
CAS Number(s)
  • 110270-70-7
InChIKey NSGMNJDNHSTYBY-TZIWHRDSSA-N
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