Geometry & MOs

Info

ID:	213495
PubChem CID:	81063917
Reduced:	Cl2N2O3C10H12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	306.082741
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	3.76
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(N1)Cl)Cl

DOS

IR

Vibrations