Geometry & MOs

Info

ID:	213448
PubChem CID:	81063752
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	4.91
IP(EA), eV:	-9.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations