Geometry & MOs

Info

ID:	258328
PubChem CID:	103152930
Reduced:	ClNO2C5H6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	272.056385
ΔH_f, kcal/mol:	-163.07
Dipole, Da:	5.85
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloropyridine-3-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations