Geometry & MOs

Info

ID:

439763

PubChem CID:

135229583

Reduced:

NOH55C89 (1)

Stoich.:

ABC55D89 (1)

Weight, g/mol:

1081.39198

ΔHf, kcal/mol:

387.24

Dipole, Da:

2.05

IP(EA), eV:

 -8.21(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=CC(=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations