Geometry & MOs

Info

ID:	172257
PubChem CID:	75486551
Reduced:	BO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	354.163854
ΔH_f, kcal/mol:	-296.38
Dipole, Da:	10.31
IP(EA), eV:	-9.37(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)OCCCC

DOS

IR

Vibrations