Geometry & MOs

Info

ID:	9733
PubChem CID:	92688
Reduced:	Br2O2H5C6 (2)
Stoich.:	A2B2C5D6 (2)
Weight, g/mol:	537.72716
ΔH_f, kcal/mol:	-145.08
Dipole, Da:	3.29
IP(EA), eV:	-9.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(acetyloxymethyl)-2,3,5,6-tetrabromophenyl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C(=C(C(=C1Br)Br)COC(=O)C)Br)Br

DOS

IR

Vibrations