Geometry & MOs
Info
ID: |
436743 |
PubChem CID: |
135209925 |
Reduced: |
O2C13H24 (1) |
Stoich.: |
A2B13C24 (1) |
Weight, g/mol: |
732.374767 |
ΔHf, kcal/mol: |
-132.18 |
Dipole, Da: |
1.8 |
IP(EA), eV: |
-9.85(1.82) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl (3R)-3-[[4-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate