Geometry & MOs

Info

ID:

428756

PubChem CID:

135168082

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

1026.361014

ΔHf, kcal/mol:

317.18

Dipole, Da:

0.7

IP(EA), eV:

 -7.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-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=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations