Geometry & MOs

Info

ID:

325363

PubChem CID:

126682922

Reduced:

N4H28C43 (1)

Stoich.:

A4B28C43 (1)

Weight, g/mol:

562.215747

ΔHf, kcal/mol:

219.12

Dipole, Da:

2.96

IP(EA), eV:

 -7.97(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-8-[3-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-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=CC3=C4C(=C2)C=CN=C4N(C5=CC=CC=C53)C6=CC=CC(=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations