Geometry & MOs

Info

ID:	370733
PubChem CID:	127340057
Reduced:	ClOS2N4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	46.21
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(S2)Cl)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations