Geometry & MOs

Info

ID:

429043

PubChem CID:

135168706

Reduced:

ON2H48C80 (1)

Stoich.:

AB2C48D80 (1)

Weight, g/mol:

1104.407964

ΔHf, kcal/mol:

327.07

Dipole, Da:

2.12

IP(EA), eV:

 -7.92(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-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-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N(C7=CC=C(C=C7)C8=C9C1=CC=CC=C1C1(C9=CC=C8)C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations