[(5α,8α)-6-Methyl-9,10-Didehydroergolin-8-Yl]Methanol

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Properties Simple | Detailed

Formula C16H18N2O
IUPAC Name [(6as,7s,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 58.8 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 308.25 Å 3
Surface Area 272.52 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • 9,10-didehydro-6-methylergoline-8beta-methanol
  • ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8beta)- (9ci)
InChIKey BIXJFIJYBLJTMK-BONVTDFDSA-N
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