(3As,8Ar)-1,3A,8-Trimethyl-1,2,3,3A,8,8A-Hexahydropyrrolo[2,3-B]Indole-5,6-Dione

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Formula C13H16N2O2
IUPAC Name (3s,3ar,4s,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indole-6,7-dione
Molecular Mass 232.278 g·mol−1
Heat of Formation -132.7 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 280.99 Å 3
Surface Area 247.14 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indole-6,7-dione
  • (3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indole-6,7-quinone
  • pyrrolo(2,3-b)indole-5,6-dione, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, (3as-cis)-
  • rubreserine
CAS Number(s)
  • 18455-27-1
  • 24467-97-8
InChIKey HOQNKCYZDSDWJL-OLZOCXBDSA-N
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