Benzyl {[(8α,10Beta)-1,6-Dimethylergolin-8-Yl]Methyl}Carbamate

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Properties Simple | Detailed

Formula C25H29N3O2
IUPAC Name benzyl n-[[(6ar,7s,9r,10as)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methyl]carbamate
Molecular Mass 403.517 g·mol−1
Heat of Formation -128.0 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 499.33 Å 3
Surface Area 386.28 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey WZHJKEUHNJHDLS-RZFNWQHOSA-N
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