Geometry & MOs

Info

ID:	23465
PubChem CID:	603851
Reduced:	ClBr2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	403.86373
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	1.73
IP(EA), eV:	-9.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-bromophenyl)-chloromethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(OC(=O)C2=CC=C(C=C2)Br)Cl)Br

DOS

IR

Vibrations