Geometry & MOs

Info

ID:	23329
PubChem CID:	603109
Reduced:	BrO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	351.87688
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	3.0
IP(EA), eV:	-9.53(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dibromo-4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC(=C(C(=O)C(=C1)Br)O)Br

DOS

IR

Vibrations