Geometry & MOs

Info

ID:	213180
PubChem CID:	81063126
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	3.64
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations