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

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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
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