Geometry & MOs

Info

ID:	212428
PubChem CID:	81060517
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	319.01204
ΔH_f, kcal/mol:	55.06
Dipole, Da:	4.9
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations