Geometry & MOs

Info

ID:	77619
PubChem CID:	49658426
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	392.073926
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	7.23
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-chloro-4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)NC1=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations