Geometry & MOs

Info

ID:

429368

PubChem CID:

135169391

Reduced:

ON2H14C23 (1)

Stoich.:

AB2C14D23 (1)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

89.45

Dipole, Da:

2.29

IP(EA), eV:

 -8.26(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,5(9),6,12,14,16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=C3)C5=CC6=CC=CC=C6C=C5N4

DOS

IR

Vibrations