(8β,9β)-6,8-Dimethyl-2-(2-Methyl-3-Buten-2-Yl)Ergolin-9-Yl Acetate

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Formula C23H30N2O2
IUPAC Name [(6ar,7s,9s,10s,10as)-5-(1,1-dimethylallyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-10-yl] acetate
Molecular Mass 366.497 g·mol−1
Heat of Formation -255.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 467.12 Å 3
Surface Area 374.68 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey OSICWVVWEXKSBD-PMVWVRLTSA-N
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