8-{[4-(4-Methoxyphenyl)-1-Piperazinyl]Methyl}-6-Methylergoline
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |