Geometry & MOs

Info

ID:	161313
PubChem CID:	57391318
Reduced:	FON3H12C21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	357.06689
ΔH_f, kcal/mol:	41.41
Dipole, Da:	9.64
IP(EA), eV:	-9.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=C(C(=O)C4=C(N3)C=CN=C4)C#N)F

DOS

IR

Vibrations