Geometry & MOs

Info

ID:	28925
PubChem CID:	830707
Reduced:	Cl2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	332.00481
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	3.34
IP(EA), eV:	-9.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propanoylphenyl) 2-bromobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations