Geometry & MOs

Info

ID:

325350

PubChem CID:

126682869

Reduced:

N2H26C39 (1)

Stoich.:

A2B26C39 (1)

Weight, g/mol:

522.209599

ΔHf, kcal/mol:

173.49

Dipole, Da:

2.09

IP(EA), eV:

 -7.88(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3,5-diphenylphenyl)-15-phenyl-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=C3C=CN=C5)C6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations