Geometry & MOs

Info

ID:	19083
PubChem CID:	554381
Reduced:	BrClO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	351.95018
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	3.53
IP(EA), eV:	-9.86(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations