Geometry & MOs

Info

ID:

439708

PubChem CID:

135229511

Reduced:

NO2H39C63 (1)

Stoich.:

AB2C39D63 (1)

Weight, g/mol:

841.298079

ΔHf, kcal/mol:

207.03

Dipole, Da:

1.83

IP(EA), eV:

 -8.08(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-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]-3'-ylphenyl)dibenzofuran-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C1=C2C3=CC=CC=C3OC2=CC=C1

DOS

IR

Vibrations