Geometry & MOs

Info

ID:	425581
PubChem CID:	135126794
Reduced:	ClFON3H19C20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	385.135718
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	5.35
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)C(=O)C(=CN3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations