Geometry & MOs

Info

ID:	337830
PubChem CID:	127258453
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	292.026914
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	3.24
IP(EA), eV:	-8.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dichlorophenoxy)-2-hydroxyethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/1\C(=O)CCN1C

DOS

IR

Vibrations