8-{[4-(4-Methoxyphenyl)-1-Piperazinyl]Methyl}-6-Methylergoline

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Formula C27H34N4O
IUPAC Name (6ar,7s,9r,10as)-9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-5h-indolo[4,3-fg]quinoline-4-ium-5-ylium
Molecular Mass 430.585 g·mol−1
Heat of Formation 151.9 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 537.25 Å 3
Surface Area 454.05 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
InChIKey TZAGFHFRNZSDBY-VFHOHQAYSA-N
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