Geometry & MOs

Info

ID:

377227

PubChem CID:

134223271

Reduced:

N5H29C49 (1)

Stoich.:

A5B29C49 (1)

Weight, g/mol:

715.273596

ΔHf, kcal/mol:

271.7

Dipole, Da:

1.9

IP(EA), eV:

 -7.13(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[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(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3C=CC(=C4)C5=C6C(=CC=C5)N7C8=CC=CC=C8N9C=CC1=C2C9=C7C6=CC2=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations