Geometry & MOs

Info

ID:

377240

PubChem CID:

134223284

Reduced:

N5H27C45 (1)

Stoich.:

A5B27C45 (1)

Weight, g/mol:

715.273596

ΔHf, kcal/mol:

253.5

Dipole, Da:

2.26

IP(EA), eV:

 -7.17(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,19-diphenyl-3,19-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=C5C(=CC=C4)N6C7=CC=CC=C7N8C=CC9=C1C8=C6C5=CC1=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations