Geometry & MOs

Info

ID:	182717
PubChem CID:	76930281
Reduced:	N4O4C11H20 (1)
Stoich.:	A4B4C11D20 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-186.39
Dipole, Da:	5.45
IP(EA), eV:	-9.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(4-oxo-4aH-quinoline-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCN1C(C(C(=O)NC1=O)NCCC(=O)OCC)N

DOS

IR

Vibrations