Geometry & MOs

Info

ID:	128407
PubChem CID:	51043005
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-77.83
Dipole, Da:	4.73
IP(EA), eV:	-8.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)OC)Cl

DOS

IR

Vibrations