Geometry & MOs

Info

ID:	4787
PubChem CID:	12029
Reduced:	NO2C4H4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	196.048407
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	6.49
IP(EA), eV:	-10.99(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-2,4-dinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations