Geometry & MOs

Info

ID:	22521
PubChem CID:	597411
Reduced:	C3N3O3H4 (2)
Stoich.:	A3B3C3D4 (2)
Weight, g/mol:	260.050532
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	5.04
IP(EA), eV:	-10.85(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-3,6-dinitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Drug info:

PubChemData

Smile

CN1C2C(N(C(=O)N2[N+](=O)[O-])C)N(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations