Geometry & MOs

Info

ID:

429705

PubChem CID:

135169756

Reduced:

O2N5H29C50 (1)

Stoich.:

A2B5C29D50 (1)

Weight, g/mol:

655.200825

ΔHf, kcal/mol:

226.53

Dipole, Da:

5.07

IP(EA), eV:

 -8.2(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-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=NC(=NC(=N2)C3=CC=CC4=C3OC5=CC=CC=C45)C6=CC(=CC=C6)N7C8=C(C=CC9=CC=CC=C98)C1=C7C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations