Geometry & MOs

Info

ID:	212605
PubChem CID:	81061175
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	5.33
IP(EA), eV:	-9.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCOC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations