Geometry & MOs

Info

ID:

428661

PubChem CID:

135167912

Reduced:

N3H45C74 (1)

Stoich.:

A3B45C74 (1)

Weight, g/mol:

936.350449

ΔHf, kcal/mol:

340.41

Dipole, Da:

3.29

IP(EA), eV:

 -7.74(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC3=C(C=C1)C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C12

DOS

IR

Vibrations