Geometry & MOs

Info

ID:	12720
PubChem CID:	144478
Reduced:	BrO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	220.00989
ΔH_f, kcal/mol:	19.86
Dipole, Da:	3.05
IP(EA), eV:	-9.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-8,9-dioxabicyclo[5.2.1]decane

Drug info:

PubChemData

Smile

C1CCC2C(C(CC1)OO2)Br

DOS

IR

Vibrations