Geometry & MOs

Info

ID:	395180
PubChem CID:	135024859
Reduced:	C3N4O4 (2)
Stoich.:	A3B4C4 (2)
Weight, g/mol:	328.002633
ΔH_f, kcal/mol:	193.37
Dipole, Da:	0.02
IP(EA), eV:	-12.26(-4.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(4,5-dinitroimidazol-3-id-2-yl)-4,5-dinitroimidazol-1-amine

Drug info:

PubChemData

Smile

C1(=C(N=C([N-]1)C2=NC(=C([N-]2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations