Geometry & MOs

Info

ID:	24156
PubChem CID:	608099
Reduced:	BrNO3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	228.93746
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	3.58
IP(EA), eV:	-10.62(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O

DOS

IR

Vibrations