Geometry & MOs

Info

ID:	333815
PubChem CID:	127252367
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	5.09
IP(EA), eV:	-9.44(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-3-methyl-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC(C1)(C)C2=NN=CN2C

DOS

IR

Vibrations