Geometry & MOs

Info

ID:	383704
PubChem CID:	134975577
Reduced:	OSC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	3.42
IP(EA), eV:	-8.48(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@](C1=O)(C)SC

DOS

IR

Vibrations