Geometry & MOs

Info

ID:

428324

PubChem CID:

135166978

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

952.38175

ΔHf, kcal/mol:

270.12

Dipole, Da:

1.57

IP(EA), eV:

 -8.02(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]-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)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2

DOS

IR

Vibrations