Geometry & MOs

Info

ID:

412899

PubChem CID:

135085835

Reduced:

BNF3H8C11 (1)

Stoich.:

ABC3D8E11 (1)

Weight, g/mol:

259.061075

ΔHf, kcal/mol:

-162.79

Dipole, Da:

10.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.055926

Charge, e:

 0

Chem-info

IUPAC name:

potassium;2-(diethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

[B-](C1=CC=C(C=C1)C2=CC=CC=N2)(F)(F)F

DOS

IR

Vibrations