Geometry & MOs

Info

ID:

428941

PubChem CID:

135168467

Reduced:

ON2H46C74 (1)

Stoich.:

AB2C46D74 (1)

Weight, g/mol:

888.350449

ΔHf, kcal/mol:

298.11

Dipole, Da:

1.68

IP(EA), eV:

 -7.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)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(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC1=C(C=C9)C2(C3=CC=CC=C31)C1=CC=CC=C1N1C3=CC=CC=C3C3=C1C2=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations