Geometry & MOs

Info

ID:	125183
PubChem CID:	50913634
Reduced:	ClON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	248.074976
ΔH_f, kcal/mol:	79.26
Dipole, Da:	10.1
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=C1CCC2C3=CC=CC=C3)NC4=CC(=C(C=C4)N5C=C(N=C5)Cl)OC

DOS

IR

Vibrations