Geometry & MOs

Info

ID:

439937

PubChem CID:

135229793

Reduced:

ON2H56C88 (1)

Stoich.:

AB2C56D88 (1)

Weight, g/mol:

1068.407964

ΔHf, kcal/mol:

347.25

Dipole, Da:

1.21

IP(EA), eV:

 -7.96(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-(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)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations