Geometry & MOs

Info

ID:

429589

PubChem CID:

135169638

Reduced:

ClON4H9C13 (1)

Stoich.:

ABC4D9E13 (1)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

54.21

Dipole, Da:

4.0

IP(EA), eV:

 -9.69(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)N)Cl

DOS

IR

Vibrations