3-(Trans-4-{2-[(1R)-1-Hydroxyethyl]Imidazo[4,5-D]Pyrrolo[2,3-B]Pyridin-1(6H)-Yl}Cyclohexyl)Propanenitrile
Properties
Property | Value |
---|---|
Formula | C19H23N5O |
IUPAC Name | 3-[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]propanenitrile |
Molecular Mass | 337.419 g·mol−1 |
Heat of Formation | 111.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.53 ± 1.08 D |
Volume | 411.03 Å 3 |
Surface Area | 351.59 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | LLRNGFSFYHDPKW-MGPQQGTHSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |