Geometry & MOs

Info

ID:

88733

PubChem CID:

49956382

Reduced:

ClFOSN5H20C21 (1)

Stoich.:

ABCDE5F20G21 (1)

Weight, g/mol:

488.138196

ΔHf, kcal/mol:

133.9

Dipole, Da:

7.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.214209

Charge, e:

 -2

Chem-info

IUPAC name:

5-[[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]methyl]-1,3-dimethylbenzimidazol-2-one;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SCCCNCC3=CC=C(O3)C4=CC=CC=C4F.[Cl-]

DOS

IR

Vibrations