Flustramine E

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Properties Simple | Detailed

Formula C16H21BrN2
IUPAC Name (3r,3as,8bs)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Molecular Mass 321.255 g·mol−1
Heat of Formation 93.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 358.97 Å 3
Surface Area 295.26 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,8bs)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
  • 3a,8a-cis-1-methyl-3a-(3-methyl-2-butenyl)-6-bromo-1,2,3,3a,8,8a-hexahydropyrrolo(2,3-b)indole
  • pyrrolo(2,3-b)indole, 6-bromo-1,2,3,3a,8,8a-hexahydro-1-methyl-3a-(3-methyl-2-butenyl)-, (3as-cis)-
CAS Number(s)
  • 158642-05-8
InChIKey NXURJBZDLHRCEU-HOTGVXAUSA-N
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Elements H C Br N