Geometry & MOs

Info

ID:	224240
PubChem CID:	85340583
Reduced:	BrO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	4.27
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5a,9-trimethyl-3,3a,4,5,6,7-hexahydrobenzo[g][1]benzofuran-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CBr)O

DOS

IR

Vibrations