Geometry & MOs

Info

ID:

439668

PubChem CID:

135229456

Reduced:

NO2H45C66 (1)

Stoich.:

AB2C45D66 (1)

Weight, g/mol:

1081.39198

ΔHf, kcal/mol:

198.48

Dipole, Da:

3.12

IP(EA), eV:

 -8.05(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-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]-4'-ylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C51)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21)C

DOS

IR

Vibrations