Geometry & MOs

Info

ID:

429366

PubChem CID:

135169389

Reduced:

ON2H14C23 (1)

Stoich.:

AB2C14D23 (1)

Weight, g/mol:

717.252861

ΔHf, kcal/mol:

87.22

Dipole, Da:

3.04

IP(EA), eV:

 -8.31(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[4-(4,6-diphenyl-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=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=C3)C5=C(N4)C=CC6=CC=CC=C65

DOS

IR

Vibrations