Geometry & MOs

Info

ID:

325352

PubChem CID:

126682873

Reduced:

N2H26C39 (1)

Stoich.:

A2B26C39 (1)

Weight, g/mol:

522.209599

ΔHf, kcal/mol:

174.43

Dipole, Da:

4.82

IP(EA), eV:

 -7.99(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC(=NC7=C6C4=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations