Ethyl (2S)-2-[(3S,11As)-3-Methyl-1,4-Dioxo-1,3,4,6,11,11A-Hexahydro-2H-Pyrazino[1,2-B]Isoquinolin-2-Yl]-4-Phenylbutanoate
Properties
Property | Value |
---|---|
Formula | C25H28N2O4 |
IUPAC Name | ethyl (2s)-2-[(3s,11as)-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenyl-butanoate |
Molecular Mass | 420.501 g·mol−1 |
Heat of Formation | -567.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.54 ± 1.08 D |
Volume | 517.22 Å 3 |
Surface Area | 392.76 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | NDDYKENLGBOEPD-HSQYWUDLSA-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 |