Geometry & MOs

Info

ID:	339092
PubChem CID:	127260349
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	357.993027
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	5.06
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1-dichloro-3-(2-chlorophenoxy)propan-2-yl] benzoate

Drug info:

PubChemData

Smile

C1C=C(N(N1)Cl)COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations