Geometry & MOs

Info

ID:	23564
PubChem CID:	604687
Reduced:	BrOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	347.91836
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	0.78
IP(EA), eV:	-9.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-bis(bromomethyl)-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1C2C(CC(=C1CBr)CBr)C(=O)C=CC2=O

DOS

IR

Vibrations