Geometry & MOs

Info

ID:	172280
PubChem CID:	75488470
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	324.153289
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	5.08
IP(EA), eV:	-9.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations