Geometry & MOs

Info

ID:	202650
PubChem CID:	79705746
Reduced:	BFCl2O3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	221.077185
ΔH_f, kcal/mol:	-210.55
Dipole, Da:	2.43
IP(EA), eV:	-9.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-(1,2,4-triazol-1-ylmethyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)COC2=CC(=CC(=C2)Cl)Cl)(O)O

DOS

IR

Vibrations