Geometry & MOs

Info

ID:	148475
PubChem CID:	53788137
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	481.188923
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	7.78
IP(EA), eV:	-8.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-butyl-6-(2-carboxyethenyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C=CC2=NC(=O)C3(N1)CCN(CC3)C(=O)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations