Geometry & MOs

Info

ID:	284943
PubChem CID:	104084699
Reduced:	ClOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	249.014576
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	4.18
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-chlorobutan-2-ylsulfanylmethyl)pyridine

Drug info:

PubChemData

Smile

COCCCSC1=CC=C(C=C1)CCl

DOS

IR

Vibrations