(8β,9β)-9-Hydroxy-6,8-Dimethylergolin-6-Ium

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Formula C16H20N2O
IUPAC Name (6ar,7s,9r,10r,10as)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-10-ol
Molecular Mass 256.343 g·mol−1
Heat of Formation -37.2 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 313.9 Å 3
Surface Area 270.04 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 4.28 ± eV
Point Group Symmetry C1
InChIKey JUXRVSRUBIFVKE-LFIODWAZSA-N
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