Geometry & MOs

Info

ID:

428223

PubChem CID:

135166555

Reduced:

N2H42C65 (1)

Stoich.:

A2B42C65 (1)

Weight, g/mol:

940.345364

ΔHf, kcal/mol:

286.25

Dipole, Da:

0.6

IP(EA), eV:

 -8.06(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-dibenzofuran-4-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC=CC=C1C1=CC=CC=C1C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations