Geometry & MOs

Info

ID:	12746
PubChem CID:	144864
Reduced:	BrO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	205.99424
ΔH_f, kcal/mol:	67.19
Dipole, Da:	2.82
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-7,8-dioxabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

C1CCC2C(C(C1)OO2)Br

DOS

IR

Vibrations