Geometry & MOs

Info

ID:	26964
PubChem CID:	806799
Reduced:	NO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	6.16
IP(EA), eV:	-9.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations