Geometry & MOs

Info

ID:

88540

PubChem CID:

49955305

Reduced:

BrClN3O3C17H18 (1)

Stoich.:

ABC3D3E17F18 (1)

Weight, g/mol:

364.106409

ΔHf, kcal/mol:

-37.79

Dipole, Da:

6.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.862961

Charge, e:

 -1

Chem-info

IUPAC name:

5-[(2,4,5-trimethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)Br)OC.[Cl-]

DOS

IR

Vibrations