Geometry & MOs
Info
ID: |
36324 |
PubChem CID: |
8001658 |
Reduced: |
NCl2O2C12H18 (1) |
Stoich.: |
AB2C2D12E18 (1) |
Weight, g/mol: |
302.088912 |
ΔHf, kcal/mol: |
-79.05 |
Dipole, Da: |
10.85 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.893418 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1-methylbenzimidazole