Geometry & MOs

Info

ID:	4697
PubChem CID:	11883
Reduced:	N2O4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	182.032757
ΔH_f, kcal/mol:	14.05
Dipole, Da:	8.44
IP(EA), eV:	-10.9(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1,2-dinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations