Geometry & MOs

Info

ID:	50274
PubChem CID:	12012790
Reduced:	Cl2O3C9H14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	258.042564
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	1.85
IP(EA), eV:	-10.2(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-dichloropropan-2-yloxy)-2-hydroxypropoxy]propan-2-one

Drug info:

PubChemData

Smile

C#CCOCC(COC(CCl)CCl)O

DOS

IR

Vibrations