(8β)-N,N-Diethyl-2-Iodo-6-Methyl-9,10-Didehydroergoline-8-Carboxamide

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Properties Simple | Detailed

Formula C20H24IN3O
IUPAC Name (6ar,7r,9r)-n,n-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 449.329 g·mol−1
Heat of Formation 85.8 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 445.43 Å 3
Surface Area 379.82 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-iodolysergic acid diethylamide
  • d-(+)-n1-ethyl-2-iodolysergic acid diethylamide
  • ergoline-8-carboxamide, 9,10-didehydro-n,n-diethyl-2-iodo-6-methyl-, (8beta)-
  • iodo-lsd
CAS Number(s)
  • 3712-25-2
InChIKey OBCUQRYIGTWROI-SJKOYZFVSA-N
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