10-Methoxy-6-Methyl-8,9-Didehydroergoline-8-Carbaldehyde

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Properties Simple | Detailed

Formula C17H18N2O2
IUPAC Name (6ar,7r,10as)-10a-methoxy-7-methyl-6a,8-dihydro-6h-indolo[4,3-fg]quinoline-4-ium-9-carbaldehyde
Molecular Mass 282.337 g·mol−1
Heat of Formation 8.9 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 335.69 Å 3
Surface Area 287.74 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 10alpha-methoxy-delta(8,9)-lysergaldehyde
  • ergoline-8-carboxaldehyde, 8,9-didehydro-10-methoxy-6-methyl-
CAS Number(s)
  • 55839-57-1
InChIKey NUNSNZWWHFQOBY-WBVHZDCISA-N
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