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

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Formula C23H28N6O
IUPAC Name 3-(6-ethoxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 404.508 g·mol−1
Heat of Formation 260.2 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 485.67 Å 3
Surface Area 424.17 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey XXCYJNLNYQUFLU-UHFFFAOYSA-O
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