3-(4-Methoxy-3-Methyl-Phenyl)-1-(4-Piperidylmethyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

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Formula C19H25N6O
IUPAC Name 3-(4-methoxy-3-methyl-phenyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 353.441 g·mol−1
Heat of Formation 181.3 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 427.0 Å 3
Surface Area 373.16 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey WDHQXCSVXVCPNT-UHFFFAOYSA-O
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