(8β)-1,6,8-Trimethylergoline

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Formula C17H22N2
IUPAC Name (6ar,7s,9r,10ar)-4,7,9-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Molecular Mass 254.370 g·mol−1
Heat of Formation 132.0 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 327.25 Å 3
Surface Area 286.67 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 81967-87-5
InChIKey ADPVUBKUMMKOKD-DJSGYFEHSA-N
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Elements H C N