Geometry & MOs

Info

ID:	409687
PubChem CID:	135082470
Reduced:	BClC20H34 (1)
Stoich.:	ABC20D34 (1)
Weight, g/mol:	520.182464
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	2.27
IP(EA), eV:	-9.47(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-diphenyl-1,3,5,2,4,6-trioxatriborinan-2-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

Drug info:

PubChemData

Smile

B([C@H]1[C@@H](C[C@H]2C[C@@H]1C2(C)C)C)([C@H]3[C@@H](C[C@H]4C[C@@H]3C4(C)C)C)Cl

DOS

IR

Vibrations