Geometry & MOs

Info

ID:

428439

PubChem CID:

135167338

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

269.19

Dipole, Da:

0.69

IP(EA), eV:

 -7.66(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-phenylphenyl)phenyl]-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]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C5)C6=CC7=C8C(=C6)C9(C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C1N8C1=CC=CC=C17

DOS

IR

Vibrations