Geometry & MOs

Info

ID:	410619
PubChem CID:	135083419
Reduced:	N8O8H14C17 (1)
Stoich.:	A8B8C14D17 (1)
Weight, g/mol:	474.009367
ΔH_f, kcal/mol:	102.44
Dipole, Da:	8.3
IP(EA), eV:	-10.74(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations