Geometry & MOs

Info

ID:	9936
PubChem CID:	95062
Reduced:	BrO3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	227.94221
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	3.3
IP(EA), eV:	-9.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=O)Br

DOS

IR

Vibrations