Geometry & MOs

Info

ID:	410603
PubChem CID:	135083403
Reduced:	N4O4H5C8 (2)
Stoich.:	A4B4C5D8 (2)
Weight, g/mol:	459.993717
ΔH_f, kcal/mol:	124.5
Dipole, Da:	5.94
IP(EA), eV:	-10.73(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-N,2-dinitroanilino)ethyl]-N-(4-chloro-2-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])N(CCN(C2=C(C=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations