Geometry & MOs

Info

ID:

428777

PubChem CID:

135168156

Reduced:

NH22C36 (2)

Stoich.:

AB22C36 (2)

Weight, g/mol:

1044.353821

ΔHf, kcal/mol:

328.35

Dipole, Da:

1.9

IP(EA), eV:

 -8.02(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)C9=CC=CC=C69)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations