Geometry & MOs
Info
ID: |
84292 |
PubChem CID: |
49865305 |
Reduced: |
NO5C26H28 (1) |
Stoich.: |
AB5C26D28 (1) |
Weight, g/mol: |
609.093712 |
ΔHf, kcal/mol: |
-142.82 |
Dipole, Da: |
2.68 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.657787 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole