Geometry & MOs

Info

ID:

308619

PubChem CID:

126497162

Reduced:

N5H21C22 (1)

Stoich.:

A5B21C22 (1)

Weight, g/mol:

610.284495

ΔHf, kcal/mol:

129.35

Dipole, Da:

1.71

IP(EA), eV:

 -8.4(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-ethenyl-9-[1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-yl]-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC=C2N3C1N(C4=NC=CN=C43)C5=CC=CC=N5)CC=C

DOS

IR

Vibrations