Geometry & MOs

Info

ID:

428396

PubChem CID:

135167219

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

271.05

Dipole, Da:

2.28

IP(EA), eV:

 -7.67(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)N5C6=CC=CC=C6C7=C5C(=CC=C7)C48C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC=C1C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations