Geometry & MOs

Info

ID:	411062
PubChem CID:	135083872
Reduced:	BF3H7C12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	252.992424
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	14.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136757
Charge, e:	0

Chem-info

IUPAC name:

potassium;trifluoro-[2-(4-nitrophenyl)ethynyl]boranuide

Drug info:

PubChemData

Smile

[B-](C#CC1=CC=CC2=CC=CC=C21)(F)(F)F

DOS

IR

Vibrations