Geometry & MOs

Info

ID:	19128
PubChem CID:	555148
Reduced:	BrNO5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	288.95858
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	10.54
IP(EA), eV:	-9.44(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2,3-dimethoxy-6-nitrobenzaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)C=O)[N+](=O)[O-])Br

DOS

IR

Vibrations