Geometry & MOs

Info

ID:

187526

PubChem CID:

77584780

Reduced:

Cl2N4O5C30H34 (1)

Stoich.:

A2B4C5D30E34 (1)

Weight, g/mol:

530.302369

ΔHf, kcal/mol:

-178.2

Dipole, Da:

10.65

IP(EA), eV:

 -9.32(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(cyclohexylmethyl)piperazin-1-yl]-[1-[2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazol-4-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCN(CC4CC5=C(C=C(C=C5)Cl)Cl)C(=O)O)O

DOS

IR

Vibrations