Geometry & MOs

Info

ID:	212578
PubChem CID:	81061073
Reduced:	FON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	272.071641
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	1.74
IP(EA), eV:	-9.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=CC=C2F

DOS

IR

Vibrations