Geometry & MOs

Info

ID:

412969

PubChem CID:

135085907

Reduced:

BrClNO2H6C10 (1)

Stoich.:

ABCD2E6F10 (1)

Weight, g/mol:

227.981188

ΔHf, kcal/mol:

-1.32

Dipole, Da:

3.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.017282

Charge, e:

 0

Chem-info

IUPAC name:

potassium;2-ethoxy-2,3,3,3-tetrafluoropropanoate

Drug info:

PubChemData

Smile

C1=CC=[N+](C(=C1)Cl)C(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations