Geometry & MOs

Info

ID:	137584
PubChem CID:	52230481
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	319.238553
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	2.62
IP(EA), eV:	-8.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-4-ium-1-yl]phenol

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCN2CCN(CC2)C3=CC=CC=C3O

DOS

IR

Vibrations