Geometry & MOs

Info

ID:

410624

PubChem CID:

135083424

Reduced:

FN9C11O14H18 (1)

Stoich.:

AB9C11D14E18 (1)

Weight, g/mol:

523.999865

ΔHf, kcal/mol:

-56.95

Dipole, Da:

6.09

IP(EA), eV:

 -11.06(-2.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations