3-{6-[(3-Chlorobenzyl)Oxy]-2-Naphthyl}-1-Isopropyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Formula C25H22ClN5O
IUPAC Name 3-[6-[(3-chlorophenyl)methoxy]-2-naphthyl]-1-isopropyl-pyrazolo[3,4-d]pyrimidin-1-ium-4-amine
Molecular Mass 443.928 g·mol−1
Heat of Formation 324.5 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 514.33 Å 3
Surface Area 453.33 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey MGARWHQGMCYTAL-UHFFFAOYSA-N
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