Geometry & MOs

Info

ID:	409100
PubChem CID:	135081876
Reduced:	Cl2N6O8H16C17 (1)
Stoich.:	A2B6C8D16E17 (1)
Weight, g/mol:	546.047966
ΔH_f, kcal/mol:	13.91
Dipole, Da:	8.1
IP(EA), eV:	-10.17(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2,6-dinitrophenyl)-N-[3-(4-cyano-N,2,6-trinitroanilino)propyl]nitramide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)N(CCCN(C2=C(C=C(C=C2Cl)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations