Geometry & MOs

Info

ID:	410613
PubChem CID:	135083413
Reduced:	ClN4O4H6C8 (2)
Stoich.:	AB4C4D6E8 (2)
Weight, g/mol:	529.912822
ΔH_f, kcal/mol:	89.52
Dipole, Da:	3.07
IP(EA), eV:	-10.59(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dichloro-N,6-dinitroanilino)ethyl]-N-(2,4-dichloro-6-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCN(C2=C(C=C(C=C2[N+](=O)[O-])Cl)C=N)[N+](=O)[O-])[N+](=O)[O-])Cl)C=N

DOS

IR

Vibrations