Geometry & MOs

Info

ID:

428770

PubChem CID:

135168149

Reduced:

N3H53C84 (1)

Stoich.:

A3B53C84 (1)

Weight, g/mol:

1026.361014

ΔHf, kcal/mol:

380.86

Dipole, Da:

1.74

IP(EA), eV:

 -8.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[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=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations