Geometry & MOs

Info

ID:

402099

PubChem CID:

135054344

Reduced:

CoB2O4C43H50 (1)

Stoich.:

AB2C4D43E50 (1)

Weight, g/mol:

552.283575

ΔHf, kcal/mol:

-195.29

Dipole, Da:

26.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.863703

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4aR,9aR)-1-(4-methoxyphenyl)-2,4-diphenyl-9,9a-dihydro-4aH-fluoren-3-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([C@@H]3[C@H]2CC4=CC=CC=C34)C5=CC=CC=C5)B6OC(C(O6)(C)C)(C)C)C7=CC=CC=C7.[CH3-].C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations