Geometry & MOs

Info

ID:	21105
PubChem CID:	587213
Reduced:	BrO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	437.98643
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	6.32
IP(EA), eV:	-10.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,13-dibromo-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione

Drug info:

PubChemData

Smile

CC1CCC(C=CC(=O)OC(CCC(C=CC(=O)O1)Br)C)Br

DOS

IR

Vibrations