Geometry & MOs
Info
ID: |
431335 |
PubChem CID: |
135171410 |
Reduced: |
ClN2C8H11 (1) |
Stoich.: |
AB2C8D11 (1) |
Weight, g/mol: |
778.350363 |
ΔHf, kcal/mol: |
9.23 |
Dipole, Da: |
4.12 |
IP(EA), eV: |
-9.66(-0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[2-fluoro-5-[6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidin-4-yl]pyridin-3-yl]-3-[1-[5-methyl-6-(5-methylpyridin-3-yl)pyrimidin-4-yl]piperidin-4-yl]oxybenzonitrile