Geometry & MOs

Info

ID:	19984
PubChem CID:	576340
Reduced:	Cl2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	246.021435
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	2.59
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCOC(=O)C(Cl)Cl

DOS

IR

Vibrations