Geometry & MOs

Info

ID:

325348

PubChem CID:

126682867

Reduced:

N2H26C39 (1)

Stoich.:

A2B26C39 (1)

Weight, g/mol:

522.209599

ΔHf, kcal/mol:

173.75

Dipole, Da:

3.46

IP(EA), eV:

 -7.84(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3,5-diphenylphenyl)-15-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=CC(=CC(=C2)N3C4=CC=CC=C4C5=CC(=CC6=CN=CC3=C56)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations