Geometry & MOs

Info

ID:

182943

PubChem CID:

76959826

Reduced:

ClNO4C21H22 (2)

Stoich.:

ABC4D21E22 (2)

Weight, g/mol:

556.022352

ΔHf, kcal/mol:

-221.87

Dipole, Da:

4.51

IP(EA), eV:

 -8.4(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(2-phenylethyl)imidazol-1-ium;chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC.COC1=C(C=C(C=C1)/C(=C\C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations