Geometry & MOs

Info

ID:	212300
PubChem CID:	81060072
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	271.087625
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	5.35
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations