Geometry & MOs

Info

ID:

325335

PubChem CID:

126682790

Reduced:

N5H27C42 (1)

Stoich.:

A5B27C42 (1)

Weight, g/mol:

563.210996

ΔHf, kcal/mol:

229.97

Dipole, Da:

5.14

IP(EA), eV:

 -8.31(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-[4-(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)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=NC(=NC8=C7C5=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations