2-[(3As,7Ar)-2-Amino-3A-(2,4-Difluorophenyl)-3A,6,7,7A-Tetrahydro[1,3]Oxazolo[4,5-C]Pyridin-5(4H)-Yl]Nicotinonitrile
Properties
Property | Value |
---|---|
Formula | C18H15F2N5O |
IUPAC Name | 2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-4,6,7,7a-tetrahydrooxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile |
Molecular Mass | 355.341 g·mol−1 |
Heat of Formation | -81.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.88 ± 1.08 D |
Volume | 388.76 Å 3 |
Surface Area | 321.05 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | -0.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | UKQSZNNDBLMQNX-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 |