Geometry & MOs
Info
ID: |
84865 |
PubChem CID: |
49870372 |
Reduced: |
NF2O2C33H46 (1) |
Stoich.: |
AB2C2D33E46 (1) |
Weight, g/mol: |
576.213126 |
ΔHf, kcal/mol: |
-165.96 |
Dipole, Da: |
2.0 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.247339 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-[methyl(trideuteriomethyl)amino]but-2-enamide