Geometry & MOs

Info

ID:	180339
PubChem CID:	76617135
Reduced:	OF3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	396.065253
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	3.86
IP(EA), eV:	-8.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[6-[2-fluoro-4-(trifluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-3H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=C(C=CC(=N2)C(F)(F)F)C=CC(=O)NC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations