(6S,10Br)-6-Phenyl-1,2,3,5,6,10B-Hexahydropyrrolo[2,1-A]Isoquinoline

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Formula C18H19N
IUPAC Name (4r,6s,10br)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Molecular Mass 249.350 g·mol−1
Heat of Formation 209.0 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 318.95 Å 3
Surface Area 274.66 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,6,10b-hexahydro-6-phenylpyrrolo(2,1-a)isoquinoline
  • mcn 4612
  • pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-phenyl-, trans-
CAS Number(s)
  • 90390-52-6
  • 87519-84-4
InChIKey KJHWRRVSXANANB-ZWKOTPCHSA-N
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Elements H C N