Geometry & MOs

Info

ID:

428962

PubChem CID:

135168547

Reduced:

ON2H44C74 (1)

Stoich.:

AB2C44D74 (1)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

402.43

Dipole, Da:

2.23

IP(EA), eV:

 -7.64(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N(C7=CC=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC2=C(C=C1)N1C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C43)C3=CC=CC2=C31

DOS

IR

Vibrations