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

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Properties Simple | Detailed

Formula C19H23N3O
IUPAC Name (6ar,9r)-n,n-diethyl-6a,7,8,9-tetrahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 309.405 g·mol−1
Heat of Formation 12.2 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 384.29 Å 3
Surface Area 332.42 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • ergoline-8-carboxamide, 9,10-didehydro-n,n-diethyl-, (8beta)-
  • n-demethyllysergic acid diethylamide
  • n-demthyl-lsd
CAS Number(s)
  • 35779-43-2
InChIKey SUXLVXOMPKZBOV-CXAGYDPISA-N
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