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

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Formula C21H29BrN2
IUPAC Name (3s,3as,4s,8bs)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
Molecular Mass 389.372 g·mol−1
Heat of Formation 120.5 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 457.26 Å 3
Surface Area 351.34 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,8bs)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
  • (3as,8bs)-6-bromo-8b-(1,1-dimethylprop-2-enyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1h-pyrrolo[2,3-b]indole
  • pyrrolo(2,3-b)indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-8-(3-methyl-2-butenyl)-, cis-
InChIKey AJYIZQUARKFPEC-FPOVZHCZSA-N
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Elements H C Br N