Geometry & MOs

Info

ID:

443331

PubChem CID:

135258608

Reduced:

ClON6C19H21 (1)

Stoich.:

ABC6D19E21 (1)

Weight, g/mol:

648.35766

ΔHf, kcal/mol:

74.25

Dipole, Da:

1.89

IP(EA), eV:

 -8.44(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26,27-dimethyl-8-[1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazol-2-yl]-1,16,19,23-tetrazapentacyclo[21.2.1.116,19.02,7.010,15]heptacosa-2,4,6,10,12,14,17,24-octaene

Drug info:

PubChemData

Smile

C=C(N/N=C\1/CCOC2=C(C=CN=C12)Cl)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations