Geometry & MOs

Info

ID:	11831
PubChem CID:	121688
Reduced:	Cl3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	368.034892
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	3.13
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl 3-(2,4,5-trichlorophenoxy)propanoate

Drug info:

PubChemData

Smile

CCCCOCCOC(=O)CCOC1=CC(=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations