Geometry & MOs

Info

ID:	411063
PubChem CID:	135083873
Reduced:	BKNO2F3H4C8 (1)
Stoich.:	ABCD2E3F4G8 (1)
Weight, g/mol:	214.028718
ΔH_f, kcal/mol:	-269.17
Dipole, Da:	17.8
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-](C#CC1=CC=C(C=C1)[N+](=O)[O-])(F)(F)F.[K+]

DOS

IR

Vibrations