Geometry & MOs

Info

ID:	282608
PubChem CID:	103932801
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	4.9
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)CCC(=O)O)I

DOS

IR

Vibrations