1-Amino-5-(5-Hydroxy-2-Methyl-Phenyl)-7,8,9,10-Tetrahydropyrimido[4,5-C]Isoquinolin-6-One

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Formula C18H18N4O2
IUPAC Name 1-amino-5-(5-hydroxy-2-methyl-phenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-2,4-diium-10b-id-6-one
Molecular Mass 322.361 g·mol−1
Heat of Formation -130.1 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 370.9 Å 3
Surface Area 319.13 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey ZQQZSFIPDUAFMC-UHFFFAOYSA-O
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