Geometry & MOs

Info

ID:

325365

PubChem CID:

126682928

Reduced:

N2H13C20 (2)

Stoich.:

A2B13C20 (2)

Weight, g/mol:

562.215747

ΔHf, kcal/mol:

205.81

Dipole, Da:

2.68

IP(EA), eV:

 -8.05(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C(=C2)C=CC=C4N(C5=CC=CC=C53)C6=CC=CC(=C6)C7=NC8=CC=CC=C8N7C9=CC=CC=C9

DOS

IR

Vibrations