(3Z,5As,10Br,11As)-3-(1H-Imidazol-5-Ylmethylene)-10B-(2-Methyl-3-Buten-2-Yl)-6,10B,11,11A-Tetrahydro-2H-Pyrazino[1',2':1,5]Pyrrolo[2,3-B]Indole-1,4(3H,5Ah)-Dione

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Properties Simple | Detailed

Formula C22H23N5O2
IUPAC Name isoroquefortine c
Molecular Mass 389.450 g·mol−1
Heat of Formation 17.2 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 457.6 Å 3
Surface Area 374.45 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3h,5ah)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1h-imidazol-4-ylmethylene)-
  • 2h-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-(3h,5ah)-dione, 6,10b,11,11a-tetrahydro-10b-(1,1-dimethyl-2-propenyl)-3-(1h-imidazol-4-ylmethylene)-
  • acon1_001566
  • megxm0_000265
  • roquefortine c
InChIKey SPWSUFUPTSJWNG-LIMLNZRCSA-N
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