Geometry & MOs

Info

ID:	139816
PubChem CID:	52601751
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	399.276001
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	3.04
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-4-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCN2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations