Geometry & MOs

Info

ID:

325342

PubChem CID:

126682834

Reduced:

N5H25C39 (1)

Stoich.:

A5B25C39 (1)

Weight, g/mol:

563.210996

ΔHf, kcal/mol:

221.75

Dipole, Da:

2.71

IP(EA), eV:

 -7.98(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-phenyl-15-[3-(1-phenylbenzimidazol-2-yl)phenyl]-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC4=CC(=CC(=C43)C5=NC=NC=C52)C6=CC(=CC=C6)C7=NC8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations