Geometry & MOs

Info

ID:

428064

PubChem CID:

135165922

Reduced:

N2H19C30 (2)

Stoich.:

A2B19C30 (2)

Weight, g/mol:

841.320546

ΔHf, kcal/mol:

294.1

Dipole, Da:

4.39

IP(EA), eV:

 -7.79(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3,5-diphenylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]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(=CC(=C2)N3C4=C(C5=C3C6=CC=CC=C6C=C5)C7=C(C=C4)N(C8=CC=CC=C87)C9=CC=CC(=C9)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations