Geometry & MOs

Info

ID:	212603
PubChem CID:	81061172
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	5.4
IP(EA), eV:	-9.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCOC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations