Geometry & MOs

Info

ID:	231525
PubChem CID:	87574030
Reduced:	BO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	314.018508
ΔH_f, kcal/mol:	-181.39
Dipole, Da:	2.49
IP(EA), eV:	-10.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(2,2,2-trifluoroacetyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)C=O)C=O)(O)O

DOS

IR

Vibrations