3-[(3R)-3-(Imidazo[4,5-D]Pyrrolo[2,3-B]Pyridin-1(5H)-Yl)-1-Piperidinyl]-3-Oxopropanenitrile
Properties
| Property | Value |
|---|---|
| Formula | C16H16N6O |
| IUPAC Name | 3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5h)-yl)-1-piperidinyl]-3-oxopropanenitrile |
| Molecular Mass | 308.338 g·mol−1 |
| Heat of Formation | 261.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.29 ± 1.08 D |
| Volume | 360.34 Å 3 |
| Surface Area | 311.36 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | 2.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XTKGOBBIBUQFHY-LLVKDONJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |