Geometry & MOs

Info

ID:	14224
PubChem CID:	406777
Reduced:	Cl2O3H10C16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	320.0007
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	4.85
IP(EA), eV:	-9.83(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-3-oxoprop-1-enyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)OC=CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations