Geometry & MOs

Info

ID:	4625
PubChem CID:	11761
Reduced:	N2O4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	182.032757
ΔH_f, kcal/mol:	14.54
Dipole, Da:	7.7
IP(EA), eV:	-10.84(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,3-dinitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations