Geometry & MOs

Info

ID:

428795

PubChem CID:

135168174

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

296.46

Dipole, Da:

0.79

IP(EA), eV:

 -7.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-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(C3=C(C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations