Geometry & MOs
Info
ID: |
325134 |
PubChem CID: |
126681305 |
Reduced: |
N3O8C56H85 (1) |
Stoich.: |
A3B8C56D85 (1) |
Weight, g/mol: |
634.237368 |
ΔHf, kcal/mol: |
-302.65 |
Dipole, Da: |
4.09 |
IP(EA), eV: |
-9.26(0.17) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(6Z)-6-(2-ethyl-5-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide