Geometry & MOs

Info

ID:

429719

PubChem CID:

135169770

Reduced:

ON2H16C23 (1)

Stoich.:

AB2C16D23 (1)

Weight, g/mol:

731.232125

ΔHf, kcal/mol:

72.62

Dipole, Da:

3.0

IP(EA), eV:

 -8.13(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-(4-dibenzofuran-3-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

C1CC2=C(C3=CC=CC=C31)NC4=C2C=CC5=C4OC(=N5)C6=CC=CC=C6

DOS

IR

Vibrations