Geometry & MOs

Info

ID:	125251
PubChem CID:	50917194
Reduced:	ClNOSC2H2F4 (1)
Stoich.:	ABCDE2F2G4 (1)
Weight, g/mol:	263.050177
ΔH_f, kcal/mol:	-235.53
Dipole, Da:	3.51
IP(EA), eV:	-9.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)ethynyl]quinoline

Drug info:

PubChemData

Smile

C(C(F)(F)Cl)(F)(F)[S@](=O)N

DOS

IR

Vibrations