Geometry & MOs

Info

ID:

308607

PubChem CID:

126497140

Reduced:

ON6H36C40 (1)

Stoich.:

AB6C36D40 (1)

Weight, g/mol:

526.24811

ΔHf, kcal/mol:

167.18

Dipole, Da:

4.13

IP(EA), eV:

 -7.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-ethenyl-11-methyl-9-[1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazol-2-yl]-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(C2N(C=CN2C3=C1C=CC4=C3OC5=CC=CC=C45)C)C6N(C7=NC(=NC=C7N6C8=CC=CC=C8C=C)C9=CC=CC=C9C)C

DOS

IR

Vibrations