Geometry & MOs

Info

ID:

325351

PubChem CID:

126682872

Reduced:

N2H26C39 (1)

Stoich.:

A2B26C39 (1)

Weight, g/mol:

522.209599

ΔHf, kcal/mol:

174.05

Dipole, Da:

4.09

IP(EA), eV:

 -7.76(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-[3-(3-phenylphenyl)phenyl]-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=C3N=CC=C5)C6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations