Geometry & MOs

Info

ID:	266853
PubChem CID:	103579764
Reduced:	FCl3N3H9C11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	295.007931
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	3.66
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dichloro-4-fluoroanilino)methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=CN=C1CNC2=CC(=C(C(=C2)Cl)F)Cl)Cl

DOS

IR

Vibrations