Geometry & MOs

Info

ID:	9198
PubChem CID:	87137
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	3.96
IP(EA), eV:	-9.32(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-methyl-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations