Geometry & MOs

Info

ID:	409107
PubChem CID:	135081883
Reduced:	N4H5O6C7 (2)
Stoich.:	A4B5C6D7 (2)
Weight, g/mol:	586.027624
ΔH_f, kcal/mol:	54.63
Dipole, Da:	6.3
IP(EA), eV:	-11.0(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N,2,4,6-tetranitroanilino)propyl]-N-(2,4,6-trinitrophenyl)nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations