Geometry & MOs

Info

ID:	145168
PubChem CID:	53473641
Reduced:	BO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	510.34953
ΔH_f, kcal/mol:	-432.82
Dipole, Da:	2.27
IP(EA), eV:	-8.95(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C3=C2CCCC3)B4OC(C(O4)(C)C)(C)C)C(=O)OC

DOS

IR

Vibrations