Geometry & MOs

Info

ID:

428993

PubChem CID:

135168587

Reduced:

ON2H48C80 (1)

Stoich.:

AB2C48D80 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

328.5

Dipole, Da:

1.71

IP(EA), eV:

 -7.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5N6C7=CC=CC=C7C8=C6C4=CC=C8)C=C(C=C3)C9=CC=C(C=C9)N(C1=CC=C(C=C1)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations