Geometry & MOs

Info

ID:	212214
PubChem CID:	81059843
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	1.8
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2CCN(CC2)C

DOS

IR

Vibrations