(8β)-2-Butyl-6-Methyl-9,10-Didehydroergoline-8-Carboxamide

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Properties Simple | Detailed

Formula C20H25N3O
IUPAC Name (6ar,7r,9r)-5-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-5-ylium-9-carboxamide
Molecular Mass 323.432 g·mol−1
Heat of Formation -33.3 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 407.01 Å 3
Surface Area 356.66 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyllysergamide
CAS Number(s)
  • 137765-82-3
InChIKey WPUBLQOZLSDKAF-KZULUSFZSA-N
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