Geometry & MOs

Info

ID:

428224

PubChem CID:

135166556

Reduced:

ON2H44C71 (1)

Stoich.:

AB2C44D71 (1)

Weight, g/mol:

926.366099

ΔHf, kcal/mol:

284.8

Dipole, Da:

0.91

IP(EA), eV:

 -7.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)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=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC(=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations