Geometry & MOs
Info
ID: |
321721 |
PubChem CID: |
126666883 |
Reduced: |
O3H5C19F25 (1) |
Stoich.: |
A3B5C19D25 (1) |
Weight, g/mol: |
414.181567 |
ΔHf, kcal/mol: |
-1325.77 |
Dipole, Da: |
5.87 |
IP(EA), eV: |
-10.3(-1.36) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide