Geometry & MOs

Info

ID:	402849
PubChem CID:	135057532
Reduced:	BC3F3H5 (2)
Stoich.:	AB3C3D5 (2)
Weight, g/mol:	136.009852
ΔH_f, kcal/mol:	-528.29
Dipole, Da:	0.22
IP(EA), eV:	-10.14(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-chloro-3-hydroxyprop-1-enyl]boronic acid

Drug info:

PubChemData

Smile

[B-](/C(=C(\[B-](F)(F)F)/C(C)C)/C)(F)(F)F

DOS

IR

Vibrations