Geometry & MOs

Info

ID:

428172

PubChem CID:

135166316

Reduced:

N2H38C59 (1)

Stoich.:

A2B38C59 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

261.64

Dipole, Da:

1.5

IP(EA), eV:

 -8.05(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=CC=CC=C5C=C4)C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2

DOS

IR

Vibrations