Geometry & MOs

Info

ID:

428988

PubChem CID:

135168582

Reduced:

N2H50C81 (1)

Stoich.:

A2B50C81 (1)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

360.41

Dipole, Da:

0.69

IP(EA), eV:

 -7.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC2=C(C=C1)C1(C3=CC=CC=C3C3=CC=CC=C31)C1=CC=CC3=C1N2C1=CC=CC=C31)C1=CC=CC=C1

DOS

IR

Vibrations