Geometry & MOs

Info

ID:	17757
PubChem CID:	517480
Reduced:	O3N4C5H5 (2)
Stoich.:	A3B4C5D5 (2)
Weight, g/mol:	338.07233
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	5.46
IP(EA), eV:	-10.29(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[2-[(4-nitro-1H-imidazole-5-carbonyl)amino]ethyl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=C(N1)C(=O)NCCNC(=O)C2=C(N=CN2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations