Geometry & MOs

Info

ID:	247000
PubChem CID:	103066236
Reduced:	ClSC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	267.009633
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	1.69
IP(EA), eV:	-8.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enylsulfanyl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)SCC(=C)CCl

DOS

IR

Vibrations