Geometry & MOs

Info

ID:

435122

PubChem CID:

135181298

Reduced:

O8C45H92 (1)

Stoich.:

A8B45C92 (1)

Weight, g/mol:

2189.793069

ΔHf, kcal/mol:

-543.24

Dipole, Da:

4.77

IP(EA), eV:

 -9.1(2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[7-[2'-[6-[2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)anilino]naphthalen-2-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]-6-yl]dibenzofuran-2-yl]phenyl]-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]-4-amine

Drug info:

PubChemData

Smile

CCC(C)(C)OCCC(C)(C)OCC(COC(C)(C)CCOC(C)(C)CC)(COC(C)(C)CCOC(C)(C)CC)COC(C)(C)CCOC(C)(C)CC

DOS

IR

Vibrations