Geometry & MOs

Info

ID:

428693

PubChem CID:

135167944

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

317.47

Dipole, Da:

0.97

IP(EA), eV:

 -7.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC2=C(C=C1)C1=C(C2(C2=CC=CC=C2)C2=CC=CC=C2)C=CC2=CC=CC=C21

DOS

IR

Vibrations