Geometry & MOs

Info

ID:	144850
PubChem CID:	53423078
Reduced:	ClNOC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	275.024175
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	6.04
IP(EA), eV:	-9.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)hexanoate

Drug info:

PubChemData

Smile

C1CC(C(N(C1)CCO)C2=CC=CC=C2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations