(Trans-4-{2-[(1R)-1-Hydroxyethyl]Imidazo[4,5-D]Pyrrolo[2,3-B]Pyridin-1(6H)-Yl}Cyclohexyl)Acetonitrile
Properties
| Property | Value |
|---|---|
| Formula | C18H21N5O |
| IUPAC Name | 2-[4-[4-(1-hydroxyethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaen-3-yl]cyclohexyl]acetonitrile |
| Molecular Mass | 323.392 g·mol−1 |
| Heat of Formation | 132.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.09 ± 1.08 D |
| Volume | 393.01 Å 3 |
| Surface Area | 331.97 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | 2.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IKSRDHMMQOCRHN-JHJVBQTASA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |