3-(4-Hydroxybenzyl)-2-(1-{[2-(4-Hydroxyphenyl)Ethyl]Amino}-1-Oxo-2-Pentanyl)-4-Oxo-3,6,11,11A-Tetrahydro-4H-Pyrazino[1,2-B]Isoquinolin-2-Ium-1-Olate

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Properties Simple | Detailed

Formula C32H35N3O5
IUPAC Name (2s)-2-[(3s,11as)-3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-n-[2-(4-hydroxyphenyl)ethyl]pentanamide
Molecular Mass 541.637 g·mol−1
Heat of Formation -752.8 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 712.72 Å 3
Surface Area 460.2 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
InChIKey GSRXSLSGKZHATI-AWCRTANDSA-N
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