Geometry & MOs

Info

ID:	338003
PubChem CID:	127258626
Reduced:	ClO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	360.1259
ΔH_f, kcal/mol:	-188.98
Dipole, Da:	2.19
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)OCCOCCCCOC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations