Geometry & MOs

Info

ID:	187527
PubChem CID:	77585104
Reduced:	ClO3N4C29H43 (1)
Stoich.:	AB3C4D29E43 (1)
Weight, g/mol:	494.325691
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	6.78
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, 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

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CC5CCCCC5)O.Cl

DOS

IR

Vibrations