Geometry & MOs

Info

ID:	121227
PubChem CID:	50759406
Reduced:	Cl2N2O2H16C23 (1)
Stoich.:	A2B2C2D16E23 (1)
Weight, g/mol:	406.088434
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	6.6
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorobenzoyl)-1-[(2-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations