Geometry & MOs

Info

ID:

428337

PubChem CID:

135167015

Reduced:

N2H44C67 (1)

Stoich.:

A2B44C67 (1)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

296.85

Dipole, Da:

1.05

IP(EA), eV:

 -7.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-2-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'-ylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC=C6C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations