Geometry & MOs

Info

ID:	395179
PubChem CID:	135024858
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	311.983909
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	2.22
IP(EA), eV:	-10.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(4,5-dinitroimidazol-3-id-2-yl)-4,5-dinitroimidazol-3-ide

Drug info:

PubChemData

Smile

COC(=O)C1=COC(=N1)CCC=C

DOS

IR

Vibrations