Geometry & MOs

Info

ID:	352984
PubChem CID:	127284075
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-98.95
Dipole, Da:	5.8
IP(EA), eV:	-9.08(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

CN1CCC(C1)C(=O)NC2CCCNC2=O

DOS

IR

Vibrations