2-[(3Ar,7Ar)-2-Amino-7A-(2,4-Difluorophenyl)-3A,6,7,7A-Tetrahydro[1,3]Oxazolo[5,4-C]Pyridin-5(4H)-Yl]Nicotinonitrile
Properties
| Property | Value |
|---|---|
| Formula | C18H15F2N5O |
| IUPAC Name | 2-[(3ar,5r,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,4,6,7-tetrahydrooxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile |
| Molecular Mass | 355.341 g·mol−1 |
| Heat of Formation | -75.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.75 ± 1.08 D |
| Volume | 388.2 Å 3 |
| Surface Area | 322.37 Å 2 |
| HOMO Energy | -9.01 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RDCJBIHDYIOWEV-CRAIPNDOSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |