Geometry & MOs

Info

ID:

186959

PubChem CID:

77508167

Reduced:

COH2 (18)

Stoich.:

ABC2 (18)

Weight, g/mol:

594.167924

ΔHf, kcal/mol:

-836.1

Dipole, Da:

5.24

IP(EA), eV:

 -10.3(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O)OC(C(C(C(C(CO)O)O)O)O)O)O)O)OC(C(C(C(C(CO)O)O)O)O)O

DOS

IR

Vibrations