Geometry & MOs

Info

ID:

411563

PubChem CID:

135084395

Reduced:

N2O2F3H6C9 (1)

Stoich.:

A2B2C3D6E9 (1)

Weight, g/mol:

238.19328

ΔHf, kcal/mol:

-141.53

Dipole, Da:

6.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757124

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C(F)(F)F

DOS

IR

Vibrations