(8β)-N,N-Diethyl-1,6-Dimethyl-9,10-Didehydroergoline-8-Carboxamide

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Formula C21H27N3O
IUPAC Name (6ar,7s,9r)-n,n-diethyl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 337.459 g·mol−1
Heat of Formation 13.2 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 428.01 Å 3
Surface Area 360.34 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyllysergic acid diethylamide
  • ergoline-8-beta-carboxamide, 9,10-didehydro-n,n-diethyl-1,6-dimethyl-
  • lysergamide, n,n-diethyl-1-methyl-
  • n(1)-methyl-2-lysergic acid diethylamide
CAS Number(s)
  • 4238-85-1
InChIKey VQZYKSWQIQANKB-DNVCBOLYSA-N
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