Geometry & MOs
Info
ID: |
429683 |
PubChem CID: |
135169734 |
Reduced: |
NH4C6F8 (2) |
Stoich.: |
AB4C6D8 (2) |
Weight, g/mol: |
506.108101 |
ΔHf, kcal/mol: |
-821.89 |
Dipole, Da: |
4.13 |
IP(EA), eV: |
-10.72(-1.68) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[[(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-[(1-oxo-2H-isoquinolin-5-yl)imino]butanoyl]amino]-3-chloro-N,N-dimethylpyridine-2-carboxamide