Geometry & MOs

Info

ID:	145169
PubChem CID:	53473642
Reduced:	B3O6C28H45 (1)
Stoich.:	A3B6C28D45 (1)
Weight, g/mol:	440.252275
ΔH_f, kcal/mol:	-520.58
Dipole, Da:	1.89
IP(EA), eV:	-8.36(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3CCCCC3=C2B4OC(C(O4)(C)C)(C)C)B5OC(C(O5)(C)C)(C)C

DOS

IR

Vibrations