Geometry & MOs

Info

ID:

409099

PubChem CID:

135081875

Reduced:

FC9N9H14O14 (1)

Stoich.:

AB9C9D14E14 (1)

Weight, g/mol:

502.040667

ΔHf, kcal/mol:

-45.94

Dipole, Da:

3.27

IP(EA), eV:

 -11.29(-2.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-chloro-4-methyl-N,6-dinitroanilino)propyl]-N-(2-chloro-4-methyl-6-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations