Geometry & MOs

Info

ID:	225048
PubChem CID:	85735843
Reduced:	O3H26C27 (1)
Stoich.:	A3B26C27 (1)
Weight, g/mol:	268.090689
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	5.04
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-boronophenyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)O.C1C=C(C2=CC=CC=C21)C3(CC4=CC=CC=C4C3O)CC5=CC=CC=C5

DOS

IR

Vibrations