Geometry & MOs

Info

ID:	212633
PubChem CID:	81061273
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	272.071641
ΔH_f, kcal/mol:	34.71
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=C(C=C2)SC

DOS

IR

Vibrations