5-(2,3-Dichlorophenyl)-7-[(4-Pyridinylmethyl)Amino]Pyrazolo[1,5-A]Pyrimidin-3-Yl Thiocyanate
Properties
| Property | Value |
|---|---|
| Formula | C19H12Cl2N6S |
| IUPAC Name | [5-(2,3-dichlorophenyl)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl] thiocyanate |
| Molecular Mass | 427.310 g·mol−1 |
| Heat of Formation | 3102.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.85 ± 1.08 D |
| Volume | 421.89 Å 3 |
| Surface Area | 392.45 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -3.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AHPKUZJCNHGFQA-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl S N |