Geometry & MOs

Info

ID:

325340

PubChem CID:

126682827

Reduced:

N6H22C35 (1)

Stoich.:

A6B22C35 (1)

Weight, g/mol:

563.210996

ΔHf, kcal/mol:

221.44

Dipole, Da:

2.59

IP(EA), eV:

 -8.23(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-phenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8,10,12-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)C2=NC(=NC(=N2)C3=CC4=C5C(=C3)C=CC=C5N(C6=NC=NC=C46)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations