3-Oxo-3-[(3R)-3-(Pyrrolo[2,3-B][1,2,3]Triazolo[4,5-D]Pyridin-1(5H)-Yl)-1-Piperidinyl]Propanenitrile
Properties
| Property | Value |
|---|---|
| Formula | C15H15N7O |
| IUPAC Name | 3-oxo-3-[3-(3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-piperidyl]propanenitrile |
| Molecular Mass | 309.326 g·mol−1 |
| Heat of Formation | 385.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.49 ± 1.08 D |
| Volume | 358.97 Å 3 |
| Surface Area | 310.31 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | 2.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | COGIAVJREKAVDL-SNVBAGLBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |