Geometry & MOs

Info

ID:	258421
PubChem CID:	103153668
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-161.59
Dipole, Da:	7.71
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyano-4-methylpyridin-2-yl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC1=C(C=CC(=C1)Cl)C(=O)N

DOS

IR

Vibrations