Geometry & MOs

Info

ID:	319255
PubChem CID:	126655441
Reduced:	FO5N6C27H27 (1)
Stoich.:	AB5C6D27E27 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	3.88
IP(EA), eV:	-8.83(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-pyrazol-5-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCOCC(C5)O

DOS

IR

Vibrations