Geometry & MOs

Info

ID:

428033

PubChem CID:

135165790

Reduced:

N2H15C24 (2)

Stoich.:

A2B15C24 (2)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

252.57

Dipole, Da:

4.57

IP(EA), eV:

 -7.84(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(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)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C7C=C6)C8=C5C=CC9=C8C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations