Geometry & MOs

Info

ID:

402097

PubChem CID:

135054340

Reduced:

B2O5C32H40 (1)

Stoich.:

A2B5C32D40 (1)

Weight, g/mol:

524.32692

ΔHf, kcal/mol:

-326.78

Dipole, Da:

4.17

IP(EA), eV:

 -8.53(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aR,7aS)-4,6-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C3C2COC3)C4=CC=CC=C4)B5OC(C(O5)(C)C)(C)C)C6=CC=CC=C6

DOS

IR

Vibrations