Geometry & MOs

Info

ID:	364314
PubChem CID:	127315413
Reduced:	SN3O5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-228.97
Dipole, Da:	2.98
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations