Geometry & MOs

Info

ID:	212222
PubChem CID:	81059875
Reduced:	IN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	84.71
Dipole, Da:	4.89
IP(EA), eV:	-9.11(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC=CC=C2I

DOS

IR

Vibrations