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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H34N4O
IUPAC Name (6ar,7r,9s,10ar)-9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium
Molecular Mass 430.585 g·mol−1
Heat of Formation 163.2 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 537.61 Å 3
Surface Area 457.36 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
InChIKey TZAGFHFRNZSDBY-GJQIQAERSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N