1-Tert-Butyl-3-[(2,5-Dimethylphenyl)Methyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

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Formula C18H24N5
IUPAC Name 1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 310.417 g·mol−1
Heat of Formation 219.2 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 390.79 Å 3
Surface Area 332.17 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
InChIKey YBNXNPBRXWDOJX-UHFFFAOYSA-O
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Elements H C N