Geometry & MOs

Info

ID:	138656
PubChem CID:	52402618
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	273.051146
ΔH_f, kcal/mol:	-155.05
Dipole, Da:	5.76
IP(EA), eV:	-9.21(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

2-[carboxylatomethyl-(8-oxidoquinolin-2-yl)amino]acetate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations