Geometry & MOs
Info
ID: |
227853 |
PubChem CID: |
87562720 |
Reduced: |
ClN2O3C12H15 (1) |
Stoich.: |
AB2C3D12E15 (1) |
Weight, g/mol: |
981.40131 |
ΔHf, kcal/mol: |
-110.67 |
Dipole, Da: |
1.44 |
IP(EA), eV: |
-9.14(-0.96) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-anilino-2-[[4-(bromomethyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione