Geometry & MOs

Info

ID:

325341

PubChem CID:

126682833

Reduced:

N5H25C39 (1)

Stoich.:

A5B25C39 (1)

Weight, g/mol:

563.210996

ΔHf, kcal/mol:

217.93

Dipole, Da:

7.54

IP(EA), eV:

 -8.46(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-phenyl-15-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3,5,8-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=CC=C3C4=C5C2=NC=NC5=CC(=C4)C6=CC=C(C=C6)C7=NC8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations