Geometry & MOs

Info

ID:

410616

PubChem CID:

135083416

Reduced:

H4N5O6C8 (2)

Stoich.:

A4B5C6D8 (2)

Weight, g/mol:

510.073118

ΔHf, kcal/mol:

135.38

Dipole, Da:

1.6

IP(EA), eV:

 -11.37(-2.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-methyl-2,6-dinitrophenyl)-N-[2-(4-methyl-N,2,6-trinitroanilino)ethyl]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-])C#N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N

DOS

IR

Vibrations