Geometry & MOs

Info

ID:	45769
PubChem CID:	10517453
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-109.87
Dipole, Da:	4.2
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-1-acetyl-4,6-dimethyl-3-(2-phenylethyl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCCOCC1=CC(=O)C(=CO1)OCC2=CC=CC=C2

DOS

IR

Vibrations