Geometry & MOs

Info

ID:

429034

PubChem CID:

135168688

Reduced:

ON2H52C84 (1)

Stoich.:

AB2C52D84 (1)

Weight, g/mol:

1104.407964

ΔHf, kcal/mol:

340.53

Dipole, Da:

1.52

IP(EA), eV:

 -8.03(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine

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=CC=CC7=C6OC8=CC=CC=C78)C9=CC1=C(C=C9)C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations