Geometry & MOs

Info

ID:

428680

PubChem CID:

135167931

Reduced:

NH23C37 (2)

Stoich.:

AB23C37 (2)

Weight, g/mol:

1051.392649

ΔHf, kcal/mol:

324.96

Dipole, Da:

0.73

IP(EA), eV:

 -7.81(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C=C6)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations