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