Geometry & MOs

Info

ID:	212385
PubChem CID:	81060338
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	20.8
Dipole, Da:	4.02
IP(EA), eV:	-8.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations