Geometry & MOs

Info

ID:	411494
PubChem CID:	135084325
Reduced:	BKO2F3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	227.049119
ΔH_f, kcal/mol:	-331.39
Dipole, Da:	8.06
IP(EA), eV:	-9.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations