3-[6-[(3-Chlorophenyl)Methoxy]-2-Naphthyl]-1-Isopropyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

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Formula C25H23ClN5O
IUPAC Name 3-[6-[(3-chlorophenyl)methoxy]-2-naphthyl]-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 444.936 g·mol−1
Heat of Formation 324.5 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 514.22 Å 3
Surface Area 453.23 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey SNNURMIHZMFLSY-UHFFFAOYSA-O
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Elements H C Cl O N