Geometry & MOs

Info

ID:	16110
PubChem CID:	459954
Reduced:	NO6H13C19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	351.074287
ΔH_f, kcal/mol:	-152.24
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

C1=CC(=NC2=C1C=CC(=C2O)C(=O)C(=O)O)C=CC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations