Geometry & MOs

Info

ID:	197811
PubChem CID:	79002478
Reduced:	ON2C15H32 (1)
Stoich.:	AB2C15D32 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	4.02
IP(EA), eV:	-9.05(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-phenylsulfanylethyl)piperazin-2-one

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C(C)NCCCCC(C)C

DOS

IR

Vibrations