Geometry & MOs

Info

ID:

428237

PubChem CID:

135166635

Reduced:

N2H42C61 (1)

Stoich.:

A2B42C61 (1)

Weight, g/mol:

852.350449

ΔHf, kcal/mol:

262.69

Dipole, Da:

2.04

IP(EA), eV:

 -7.95(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N(C9=CC=CC=C79)C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations