Geometry & MOs

Info

ID:	212272
PubChem CID:	81059969
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	4.74
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NC2CC(C=C2)C(=O)O

DOS

IR

Vibrations