Geometry & MOs

Info

ID:

428825

PubChem CID:

135168273

Reduced:

NH22C35 (2)

Stoich.:

AB22C35 (2)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

319.59

Dipole, Da:

1.7

IP(EA), eV:

 -8.01(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)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]-4'-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=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations