2-(3-Methyl-1,4-Dioxo-1,3,4,6,11,11A-Hexahydro-2H-Pyrazino[1,2-B]Isoquinolin-2-Yl)-4-Phenylbutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H24N2O4 |
| IUPAC Name | (2s)-2-[(3s,11as)-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenyl-butanoic acid |
| Molecular Mass | 392.448 g·mol−1 |
| Heat of Formation | -540.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.53 ± 1.08 D |
| Volume | 470.88 Å 3 |
| Surface Area | 374.43 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | 0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VXPDBIKOLFNDKU-YSSFQJQWSA-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 |