Geometry & MOs

Info

ID:	411521
PubChem CID:	135084353
Reduced:	BKO2F3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	227.049119
ΔH_f, kcal/mol:	-327.95
Dipole, Da:	7.48
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[3-(2-methoxyphenyl)-3-oxoprop-1-ynyl]boranuide

Drug info:

PubChemData

Smile

[B-](C#CC(=O)C1=CC=CC=C1OC)(F)(F)F.[K+]

DOS

IR

Vibrations