Geometry & MOs

Info

ID:

429469

PubChem CID:

135169518

Reduced:

ON5C22H33 (1)

Stoich.:

AB5C22D33 (1)

Weight, g/mol:

641.221561

ΔHf, kcal/mol:

-37.83

Dipole, Da:

4.39

IP(EA), eV:

 -8.41(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC(C)(C)NC(=O)N1CCCC(C1)CC(C)(C)NC2=NC=CC3=C2N=CC=C3

DOS

IR

Vibrations