Geometry & MOs

Info

ID:

438176

PubChem CID:

135227805

Reduced:

O2N5H21C25 (1)

Stoich.:

A2B5C21D25 (1)

Weight, g/mol:

896.32636

ΔHf, kcal/mol:

67.81

Dipole, Da:

4.0

IP(EA), eV:

 -8.45(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21(26),24-undecaene

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)OC)C2=CC3=C(C=C2)N=CN3C(C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations