Geometry & MOs

Info

ID:	266813
PubChem CID:	103579563
Reduced:	NC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	33.24
Dipole, Da:	5.09
IP(EA), eV:	-9.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-2,4-dimethylpyridin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CN=C1C)C#N)C

DOS

IR

Vibrations