Geometry & MOs

Info

ID:	28163
PubChem CID:	825935
Reduced:	N2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	228.97384
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	9.74
IP(EA), eV:	-9.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1,2-dimethyl-4-nitrobenzene

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations