Geometry & MOs

Info

ID:	213188
PubChem CID:	81063136
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-174.23
Dipole, Da:	4.78
IP(EA), eV:	-10.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations