Geometry & MOs

Info

ID:	395596
PubChem CID:	135025930
Reduced:	Br2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	317.87141
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	1.59
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dibromo-1-benzoxepin-3-one

Drug info:

PubChemData

Smile

C#CCOC1=C(C=C(C=C1Br)Br)C(O)OCC2=CC=CC=C2

DOS

IR

Vibrations