(3R,8Ar)-3-(2-Bromophenyl)Octahydroindolizine

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Properties Simple | Detailed

Formula C14H18BrN
IUPAC Name (3r,4s,8ar)-3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
Molecular Mass 280.203 g·mol−1
Heat of Formation 74.5 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 297.94 Å 3
Surface Area 260.64 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,8ar)-3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
  • (3r,8ar)-3-(2-bromophenyl)indolizidine
  • 3-(2-bromophenyl)octahydroindolizine
  • indolizine, 3-(2-bromophenyl)octahydro-, trans-(+-)-
  • mcn 5195
  • mcn-5195
  • rwj 22757
CAS Number(s)
  • 103729-18-6
InChIKey NYBDMYWOGLTJBP-BXUZGUMPSA-N
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Elements H C Br N