1-Tert-Butyl-3-[(2,5-Dimethylphenyl)Methyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine
Properties
Property | Value |
---|---|
Formula | C18H25N5 |
IUPAC Name | 1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine |
Molecular Mass | 311.425 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 |