Geometry & MOs

Info

ID:	135628
PubChem CID:	51906133
Reduced:	ON2C18H36 (1)
Stoich.:	AB2C18D36 (1)
Weight, g/mol:	383.281087
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	1.92
IP(EA), eV:	-8.44(2.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-1-cyclohexyl-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCN([C@@H](C1)CCO)CC2CCCCC2

DOS

IR

Vibrations