Geometry & MOs

Info

ID:

428466

PubChem CID:

135167411

Reduced:

N3H47C73 (1)

Stoich.:

A3B47C73 (1)

Weight, g/mol:

724.287849

ΔHf, kcal/mol:

325.38

Dipole, Da:

1.33

IP(EA), eV:

 -8.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC1=C(C=C9)C2(C3=CC=CC=C31)C1=CC=CC=C1N1C3=CC=CC=C3C3=C1C2=CC=C3

DOS

IR

Vibrations