Geometry & MOs

Info

ID:

377220

PubChem CID:

134223261

Reduced:

ON4H28C45 (1)

Stoich.:

AB4C28D45 (1)

Weight, g/mol:

640.226312

ΔHf, kcal/mol:

211.88

Dipole, Da:

2.13

IP(EA), eV:

 -7.53(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(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=C(C=C3)C4=CC5=C(C=C4)C6=C(O5)C7=C8C(=CC=CC8=C6)C=CN7C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations