Geometry & MOs

Info

ID:	338385
PubChem CID:	127259077
Reduced:	BrSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	229.050571
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-methylpyridin-3-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCS(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations