Geometry & MOs

Info

ID:	374543
PubChem CID:	131331281
Reduced:	Br2F2O2H4C9 (1)
Stoich.:	A2B2C2D4E9 (1)
Weight, g/mol:	224.113236
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	3.54
IP(EA), eV:	-10.3(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-piperazin-1-ylphenyl)boronic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)F)F)Br)C=CC(=O)O

DOS

IR

Vibrations