Geometry & MOs
Info
ID: |
176873 |
PubChem CID: |
76106820 |
Reduced: |
SO2C12H20 (1) |
Stoich.: |
AB2C12D20 (1) |
Weight, g/mol: |
582.259068 |
ΔHf, kcal/mol: |
-56.84 |
Dipole, Da: |
1.43 |
IP(EA), eV: |
-8.64(0.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[3-(7-acetyl-4-methyl-3,6-dioxo-2-phenyl-3a,4,5,7a-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propa-1,2-dienyl]-4,7-dimethyl-2-phenyl-3a,4,5,7a-tetrahydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione