Geometry & MOs
Info
ID: |
226938 |
PubChem CID: |
87559075 |
Reduced: |
INOC6H15 (1) |
Stoich.: |
ABCD6E15 (1) |
Weight, g/mol: |
571.147665 |
ΔHf, kcal/mol: |
-24.82 |
Dipole, Da: |
10.8 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.759887 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-methyl-5-phenyl-4H-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone