Geometry & MOs

Info

ID:	18465
PubChem CID:	541337
Reduced:	Br3O3H5C9 (1)
Stoich.:	A3B3C5D9 (1)
Weight, g/mol:	399.77683
ΔH_f, kcal/mol:	-18.15
Dipole, Da:	3.82
IP(EA), eV:	-9.63(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-2,4,6-tribromo-7-hydroxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)C(=C(C=C1Br)Br)O)Br

DOS

IR

Vibrations