Geometry & MOs

Info

ID:

428084

PubChem CID:

135166007

Reduced:

NH8C13 (4)

Stoich.:

AB8C13 (4)

Weight, g/mol:

815.304896

ΔHf, kcal/mol:

266.38

Dipole, Da:

5.49

IP(EA), eV:

 -7.74(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-(4-phenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=C8C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations