(8β)-N,N-Diethyl-2-Iodo-1,6-Dimethyl-9,10-Didehydroergoline-8-Carboxamide

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Properties Simple | Detailed

Formula C21H26IN3O
IUPAC Name (6ar,7r,9r)-n,n-diethyl-5-iodo-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 463.355 g·mol−1
Heat of Formation 83.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 467.02 Å 3
Surface Area 394.48 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-i-mil
  • ergoline-8-carboxamide, 9,10-didehydro-n,n-diethyl-2-(iodo-125i)-1,6-dimethyl-, (8beta)-
  • n(1)-methyl-2-iodo-lysergic acid diethylamide
  • n-methyl-2-iodo-lsd
CAS Number(s)
  • 97165-34-9
InChIKey TWQOQCUIXUGDKO-FZKQIMNGSA-N
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