Geometry & MOs

Info

ID:

429012

PubChem CID:

135168666

Reduced:

NH22C34 (2)

Stoich.:

AB22C34 (2)

Weight, g/mol:

1102.392314

ΔHf, kcal/mol:

299.59

Dipole, Da:

0.49

IP(EA), eV:

 -7.94(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(6-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'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations