Geometry & MOs

Info

ID:	212221
PubChem CID:	81059874
Reduced:	Cl2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	349.00759
ΔH_f, kcal/mol:	53.3
Dipole, Da:	4.25
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodoanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations