Geometry & MOs

Info

ID:

428310

PubChem CID:

135166926

Reduced:

ON2H46C73 (1)

Stoich.:

AB2C46D73 (1)

Weight, g/mol:

952.38175

ΔHf, kcal/mol:

289.61

Dipole, Da:

0.95

IP(EA), eV:

 -7.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations