N-[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[4,5-C]Isoquinolin-8-Yl)Benzoyl]-L-Glutamic Acid

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Formula C23H13N6O5
IUPAC Name n-[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)benzoyl]-l-glutamic acid
Molecular Mass 453.387 g·mol−1
Heat of Formation 2201.9 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 485.31 Å 3
Surface Area 448.94 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy -3.79 ± eV
Point Group Symmetry C1
InChIKey TWQHKMFGGWXDNM-CZUORRHYSA-N
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