(8α,9Beta,10Xi)-6,8-Dimethylergolin-9-Yl Acetate

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Formula C18H22N2O2
IUPAC Name [(6ar,7s,9s,10r,10as)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-10-yl] acetate
Molecular Mass 298.379 g·mol−1
Heat of Formation -246.2 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 366.51 Å 3
Surface Area 297.29 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
InChIKey GJSSYQDXZLZOLR-ZGZIKQBOSA-N
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