Geometry & MOs

Info

ID:	447022
PubChem CID:	135279600
Reduced:	SO3C21H36 (1)
Stoich.:	AB3C21D36 (1)
Weight, g/mol:	235.056405
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	6.78
IP(EA), eV:	-9.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-ethyl-3-fluorophenyl)pyridine

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)S(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations