Geometry & MOs

Info

ID:	2757
PubChem CID:	8461
Reduced:	N2O4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	182.032757
ΔH_f, kcal/mol:	5.8
Dipole, Da:	5.78
IP(EA), eV:	-11.09(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,4-dinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations