Geometry & MOs

Info

ID:

325347

PubChem CID:

126682852

Reduced:

N3H25C39 (1)

Stoich.:

A3B25C39 (1)

Weight, g/mol:

522.209599

ΔHf, kcal/mol:

184.17

Dipole, Da:

2.72

IP(EA), eV:

 -8.05(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3,5-diphenylphenyl)-15-phenyl-8,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C(=C2)C=CC=C4N(C5=CC=CC=C53)C6=CC=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations