1-(2-Chlorophenyl)-6-[(2S)-3,3,3-Trifluoro-2-Methyl-Propyl]-3,7-Dihydropyrazolo[3,4-D]Pyrimidine-1,5-Diium-3-Ylium-4-One
Properties
| Property | Value |
|---|---|
| Formula | C15H14ClF3N4O+ |
| IUPAC Name | 1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methyl-propyl]-3,7-dihydropyrazolo[3,4-d]pyrimidine-1,5-diium-3-ylium-4-one |
| Molecular Mass | 358.746 g·mol−1 |
| Heat of Formation | -494.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.46 ± 1.08 D |
| Volume | 370.74 Å 3 |
| Surface Area | 330.51 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | 1.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JNPSRUPDCZUVQL-QMMMGPOBSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H F O N |