Geometry & MOs

Info

ID:

428425

PubChem CID:

135167295

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

271.05

Dipole, Da:

0.77

IP(EA), eV:

 -7.66(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)N6C7=CC=CC=C7C8(C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC5=C16)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations