Geometry & MOs

Info

ID:	426853
PubChem CID:	135154172
Reduced:	ClC3O3H4 (2)
Stoich.:	AB3C3D4 (2)
Weight, g/mol:	533.04814
ΔH_f, kcal/mol:	-290.78
Dipole, Da:	4.65
IP(EA), eV:	-10.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridin-3-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

C(CC(=O)O)C(=O)O.C(C(=O)O)(Cl)Cl

DOS

IR

Vibrations