(8β)-N-(4-Hydroxycyclohexyl)-1-Isopropyl-6-Methylergoline-8-Carboxamide

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Formula C25H35N3O2
IUPAC Name (6ar,7r,9r,10ar)-n-(4-hydroxycyclohexyl)-4-isopropyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide
Molecular Mass 409.564 g·mol−1
Heat of Formation -347.7 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 521.3 Å 3
Surface Area 433.88 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey CWFUIPWFPMISLQ-CPHWIANGSA-N
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