Geometry & MOs

Info

ID:	212298
PubChem CID:	81060064
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	287.088161
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	6.41
IP(EA), eV:	-9.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCOCC2C(=O)O

DOS

IR

Vibrations