Geometry & MOs

Info

ID:

439734

PubChem CID:

135229537

Reduced:

NO2H35C57 (1)

Stoich.:

AB2C35D57 (1)

Weight, g/mol:

827.318815

ΔHf, kcal/mol:

181.93

Dipole, Da:

1.95

IP(EA), eV:

 -8.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-(4-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]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations