Geometry & MOs

Info

ID:	77625
PubChem CID:	49658450
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	374.083348
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	5.46
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-4-[1-(4-fluorophenyl)ethylamino]-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)NCC3=CC=CC=C3C

DOS

IR

Vibrations