N3-(2,6-Dimethylphenyl)-1-(3-Methoxy-3-Methyl-Butyl)-N6-(4-Piperazin-1-Ylphenyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Ide-3,6-Diamine

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Formula C29H39N8O
IUPAC Name n3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-n6-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-ide-3,6-diamine
Molecular Mass 515.673 g·mol−1
Heat of Formation 294.9 ± 16.7 kJ·mol−1
Dipole Moment 1.63 ± 1.08 D
Volume 642.17 Å 3
Surface Area 551.8 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey HUIFPCLWXVNGEM-UHFFFAOYSA-O
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