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

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Properties Simple | Detailed

Formula C26H32N6O
IUPAC Name 3-(6-isobutoxy-2-naphthyl)-1-[(1-methyl-4-piperidyl)methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 444.572 g·mol−1
Heat of Formation 204.2 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 553.18 Å 3
Surface Area 477.6 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey FTHZBDYKMKQUSZ-UHFFFAOYSA-O
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