Geometry & MOs

Info

ID:

428945

PubChem CID:

135168530

Reduced:

NH20C33 (2)

Stoich.:

AB20C33 (2)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

298.66

Dipole, Da:

1.38

IP(EA), eV:

 -8.0(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N(C3=CC4=C(C=C3)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC9=C8N4C1=CC=CC=C91)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations