Geometry & MOs

Info

ID:	2422
PubChem CID:	7426
Reduced:	NO2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	151.063329
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	5.99
IP(EA), eV:	-9.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations