Geometry & MOs

Info

ID:	54536
PubChem CID:	17388850
Reduced:	NCl2F3O3H10C18 (1)
Stoich.:	AB2C3D3E10F18 (1)
Weight, g/mol:	400.038148
ΔH_f, kcal/mol:	-201.18
Dipole, Da:	4.17
IP(EA), eV:	-9.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations