Geometry & MOs

Info

ID:

428467

PubChem CID:

135167412

Reduced:

N2H36C55 (1)

Stoich.:

A2B36C55 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

244.62

Dipole, Da:

0.56

IP(EA), eV:

 -8.06(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7(C8=CC=CC=C86)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C7=CC=C2

DOS

IR

Vibrations