8,9-Didehydro-6-Methylergoline-8-Methanol

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Properties Simple | Detailed

Formula C16H18N2O
IUPAC Name [(6ar,7r,10ar)-7-methyl-6,6a,8,10a-tetrahydro-4h-indolo[4,3-fg]quinolin-9-yl]methanol
Molecular Mass 254.327 g·mol−1
Heat of Formation 73.8 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 306.07 Å 3
Surface Area 273.05 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • dihydrolysergol
  • elymoclavine
  • methanol, (8,9-didehydro-6-methylergolin-8-yl)-
CAS Number(s)
  • 548-43-6
InChIKey DAVNRFCJMIONPO-UKRRQHHQSA-N
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