Geometry & MOs

Info

ID:	8777
PubChem CID:	81379
Reduced:	BrO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	243.97351
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	2.66
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4,5-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=O)Br)OC

DOS

IR

Vibrations