Geometry & MOs

Info

ID:

377219

PubChem CID:

134223260

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

640.226312

ΔHf, kcal/mol:

294.96

Dipole, Da:

2.93

IP(EA), eV:

 -7.42(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-phenyl-3-oxa-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC4=CC=CC=C43)C5=CC6=C(C=C5)C7=C(N6C8=CC=CC=C8)C9=C1C(=CC=CC1=C7)C=CN9C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations