Geometry & MOs

Info

ID:

428855

PubChem CID:

135168303

Reduced:

NH17C28 (3)

Stoich.:

AB17C28 (3)

Weight, g/mol:

1026.361014

ΔHf, kcal/mol:

383.63

Dipole, Da:

2.74

IP(EA), eV:

 -8.07(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-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)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=CC=CC=C91)C=CC1=CC=CC=C18)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations