Geometry & MOs

Info

ID:

409101

PubChem CID:

135081877

Reduced:

H10N10O12C17 (1)

Stoich.:

A10B10C12D17 (1)

Weight, g/mol:

563.979523

ΔHf, kcal/mol:

130.81

Dipole, Da:

6.56

IP(EA), eV:

 -11.41(-2.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations