4-[4-(1H-Benzimidazol-2-Yl)-1-Piperidinyl]-1H-Pyrazolo[3,4-D]Pyrimidine
Properties
Property | Value |
---|---|
Formula | C17H17N7 |
IUPAC Name | 4-[4-(1h-benzimidazol-3-ium-7a-id-2-yl)-1-piperidyl]-1h-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-ide |
Molecular Mass | 319.364 g·mol−1 |
Heat of Formation | 507.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.82 ± 1.08 D |
Volume | 367.79 Å 3 |
Surface Area | 327.0 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 1.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | SAOVCWDCHHZCCL-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C N |