Geometry & MOs
Info
ID: |
445560 |
PubChem CID: |
135268075 |
Reduced: |
ClF3C7H8 (1) |
Stoich.: |
AB3C7D8 (1) |
Weight, g/mol: |
602.285318 |
ΔHf, kcal/mol: |
-164.83 |
Dipole, Da: |
2.36 |
IP(EA), eV: |
-9.64(-0.84) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[3-(aminomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]-[6-[(dimethylamino)methyl]-3-fluoro-2-(trifluoromethyl)pyridin-4-yl]methanol