Geometry & MOs

Info

ID:

402668

PubChem CID:

135056796

Reduced:

BKO2F3C8H9 (1)

Stoich.:

ABC2D3E8F9 (1)

Weight, g/mol:

205.064769

ΔHf, kcal/mol:

-394.56

Dipole, Da:

11.86

IP(EA), eV:

-8.36(-0.14)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

trifluoro-[hydroxy-(4-methoxyphenyl)methyl]boranuide

Drug info:

PubChemData

Smile

[B-](C(C1=CC=C(C=C1)OC)O)(F)(F)F.[K+]

DOS

IR

Vibrations