Geometry & MOs

Info

ID:

435123

PubChem CID:

135181299

Reduced:

ON4H100C168 (1)

Stoich.:

AB4C100D168 (1)

Weight, g/mol:

2105.804302

ΔHf, kcal/mol:

737.78

Dipole, Da:

3.42

IP(EA), eV:

 -7.76(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-[4-[9-[3-[4-[9-phenyl-4-[4-(9-phenylcarbazol-2-yl)-N-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'-ylanilino]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]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=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC(=C2C2=C1C9=CC=C2)C1=CC2=C(C=C1)C1=C(O2)C=CC(=C1)C1=CC=C(C=C1)N(C1=CC2=C(C=C1)C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations