Geometry & MOs

Info

ID:

377232

PubChem CID:

134223276

Reduced:

ON4H28C45 (1)

Stoich.:

AB4C28D45 (1)

Weight, g/mol:

792.288912

ΔHf, kcal/mol:

212.58

Dipole, Da:

1.65

IP(EA), eV:

 -7.48(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4,6-bis(4-phenylphenyl)-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=CC(=C3)C4=C5C(=CC=C4)OC6=C5C=C7C=CC=C8C7=C6N(C=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations