Geometry & MOs

Info

ID:	128434
PubChem CID:	51044078
Reduced:	FN3O3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	367.108754
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	9.14
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1C(C2=C(C(=CN2C3=CC=C(C=C3)F)C(=O)O)NC1=O)C4=CC=NC=C4

DOS

IR

Vibrations