Geometry & MOs
Info
ID: |
439613 |
PubChem CID: |
135229399 |
Reduced: |
NC10H14 (1) |
Stoich.: |
AB10C14 (1) |
Weight, g/mol: |
589.291371 |
ΔHf, kcal/mol: |
35.9 |
Dipole, Da: |
1.6 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.989102 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[2-hydroxy-2-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide