[(8α)-6-Methyl-9,10-Didehydroergolin-8-Yl]Methanol

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Formula C16H18N2O
IUPAC Name [(6ar,7r,9s)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methanol
Molecular Mass 254.327 g·mol−1
Heat of Formation 71.5 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 307.92 Å 3
Surface Area 273.13 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
InChIKey BIXJFIJYBLJTMK-ZUZCIYMTSA-N
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