Geometry & MOs

Info

ID:

428994

PubChem CID:

135168591

Reduced:

NH23C37 (2)

Stoich.:

AB23C37 (2)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

330.22

Dipole, Da:

1.36

IP(EA), eV:

 -8.1(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-(3-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=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations