Geometry & MOs

Info

ID:

227729

PubChem CID:

87562325

Reduced:

F2N2O3H5C9 (1)

Stoich.:

A2B2C3D5E9 (1)

Weight, g/mol:

226.018998

ΔHf, kcal/mol:

-125.02

Dipole, Da:

7.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.038323

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-2-iminoazaniumylidene-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)/C(=C(/C(=O)O)\[N+]#N)/O)F

DOS

IR

Vibrations