Geometry & MOs

Info

ID:

428873

PubChem CID:

135168321

Reduced:

ON2H46C74 (1)

Stoich.:

AB2C46D74 (1)

Weight, g/mol:

994.338171

ΔHf, kcal/mol:

303.74

Dipole, Da:

1.01

IP(EA), eV:

 -8.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-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(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=CC=CC8=C7OC9=CC=CC=C89)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations