Geometry & MOs
Info
ID: |
233422 |
PubChem CID: |
90271489 |
Reduced: |
NOSC8H18 (1) |
Stoich.: |
ABCD8E18 (1) |
Weight, g/mol: |
438.111517 |
ΔHf, kcal/mol: |
-17.05 |
Dipole, Da: |
2.6 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.752942 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-(3,5-difluoropyridin-4-yl)-1-methylpyrazole-3-carboxamide