Geometry & MOs

Info

ID:	212470
PubChem CID:	81060612
Reduced:	ClN4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	275.062553
ΔH_f, kcal/mol:	90.4
Dipole, Da:	3.3
IP(EA), eV:	-9.47(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations