Geometry & MOs

Info

ID:	13009
PubChem CID:	219947
Reduced:	Br2O6H12C13 (1)
Stoich.:	A2B6C12D13 (1)
Weight, g/mol:	423.89801
ΔH_f, kcal/mol:	-235.25
Dipole, Da:	4.68
IP(EA), eV:	-9.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dibromo-6-(diacetyloxymethyl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1Br)Br)C(OC(=O)C)OC(=O)C

DOS

IR

Vibrations