Geometry & MOs

Info

ID:

429050

PubChem CID:

135168717

Reduced:

NH24C39 (2)

Stoich.:

AB24C39 (2)

Weight, g/mol:

1038.3974

ΔHf, kcal/mol:

495.84

Dipole, Da:

7.33

IP(EA), eV:

 -7.01(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-phenylphenyl)phenyl]-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations