(19α)-11-(3-Ethyl-8-Methoxy-12H-Indolo[2,3-A]Quinolizin-5-Ium-2-Yl)-19-Methyl-10,11-Didehydrostrychnidin-19-Ium

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Formula C40H40N4O2++
IUPAC Name (4ar,5as,6s,8as,13as,15ar,15br)-15-(3-ethyl-8-methoxy-indolo[2,3-a]quinolizine-5,12-diium-2-yl)-6-methyl-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-6-ium
Molecular Mass 608.771 g·mol−1
Heat of Formation 570.2 ± 16.7 kJ·mol−1
Dipole Moment 37.27 ± 1.08 D
Volume 714.14 Å 3
Surface Area 548.8 Å 2
HOMO Energy -4.05 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 5',6'-dehydroguiaflavine
InChIKey YPRVNVFJGQUFKN-HCXZYGGOSA-O
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