Geometry & MOs

Info

ID:	338002
PubChem CID:	127258625
Reduced:	NO6C11H17 (1)
Stoich.:	AB6C11D17 (1)
Weight, g/mol:	348.089515
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	4.99
IP(EA), eV:	-9.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-dichlorophenoxy)butoxy]ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@H]1C(=O)C(CN1)(OC)OC

DOS

IR

Vibrations