Geometry & MOs

Info

ID:

429583

PubChem CID:

135169632

Reduced:

ClO2N7C11H12 (1)

Stoich.:

AB2C7D11E12 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

94.65

Dipole, Da:

4.5

IP(EA), eV:

 -8.6(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)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

CON(C1=CC(=C(N=C1)N(C2=C(C=NC=C2)N)N)Cl)N=O

DOS

IR

Vibrations