Geometry & MOs

Info

ID:	125184
PubChem CID:	50913746
Reduced:	FN2H9C16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	248.074976
ΔH_f, kcal/mol:	92.12
Dipole, Da:	1.77
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)ethynyl]-1,5-naphthyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC3=C(C=CC=N3)N=C2)F

DOS

IR

Vibrations