Geometry & MOs

Info

ID:

428038

PubChem CID:

135165798

Reduced:

N2H15C24 (2)

Stoich.:

A2B15C24 (2)

Weight, g/mol:

855.299811

ΔHf, kcal/mol:

253.5

Dipole, Da:

4.48

IP(EA), eV:

 -7.87(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=CC=CC=C8C=C7)C9=NC1=CC=CC=C1C(=N9)C1=CC=CC=C1

DOS

IR

Vibrations