Geometry & MOs
Info
ID: |
321726 |
PubChem CID: |
126666893 |
Reduced: |
OF5H6C9 (2) |
Stoich.: |
AB5C6D9 (2) |
Weight, g/mol: |
418.212867 |
ΔHf, kcal/mol: |
-568.12 |
Dipole, Da: |
4.1 |
IP(EA), eV: |
-9.49(-0.83) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-[(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-N-methyl-3a,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide