Geometry & MOs

Info

ID:	336663
PubChem CID:	127255670
Reduced:	BrO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	223.98368
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	5.93
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,3-dimethyl-1-benzofuran

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1OC)CCC2=O)Br

DOS

IR

Vibrations