Geometry & MOs

Info

ID:	215931
PubChem CID:	85085457
Reduced:	BrO3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	-144.04
Dipole, Da:	3.64
IP(EA), eV:	-10.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylsulfonylprop-1-en-2-yl)pyridine

Drug info:

PubChemData

Smile

CC(C(C(=O)OC)Br)O

DOS

IR

Vibrations