Geometry & MOs

Info

ID:

428900

PubChem CID:

135168415

Reduced:

ON2H46C74 (1)

Stoich.:

AB2C46D74 (1)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

303.44

Dipole, Da:

1.26

IP(EA), eV:

 -7.76(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-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(19),15,17-nonaene-13,9'-fluorene]-16-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)N2C3=CC=CC=C3C3=C2C(=CC=C3)C11C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations