Geometry & MOs
Info
ID: |
231937 |
PubChem CID: |
87574953 |
Reduced: |
SiO2C19H41 (1) |
Stoich.: |
AB2C19D41 (1) |
Weight, g/mol: |
406.094501 |
ΔHf, kcal/mol: |
-202.74 |
Dipole, Da: |
1.23 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.758692 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-benzyl-3-(4-chlorophenyl)-4-formamidopyrazolo[3,4-d]pyrimidine-1-carboxamide