Geometry & MOs

Info

ID:

324622

PubChem CID:

126678011

Reduced:

ON5H31C51 (1)

Stoich.:

AB5C31D51 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

248.35

Dipole, Da:

3.71

IP(EA), eV:

 -7.78(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=C4C=C7C8=CC=CC=C8OC7=C6)C9=C(C=C5)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations