(3Ar,8As)-6-Bromo-1-Methyl-3A,8-Bis(3-Methyl-2-Buten-1-Yl)-1,2,3,3A,8,8A-Hexahydropyrrolo[2,3-B]Indole

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Properties Simple | Detailed

Formula C21H29BrN2
IUPAC Name (3s,3as,4s,8br)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
Molecular Mass 389.372 g·mol−1
Heat of Formation 82.1 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 464.24 Å 3
Surface Area 370.41 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,8br)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
  • pyrrolo(2,3-b)indole, 6-bromo-1,2,3,3a,8,8a-hexahydro-1-methyl-3a,8-bis(3-methyl-2-butenyl)-, cis-
CAS Number(s)
  • 71239-65-1
InChIKey AXCACHVTDPCEAS-LEWJYISDSA-N
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Elements H C Br N