Geometry & MOs

Info

ID:	358066
PubChem CID:	127295611
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-130.93
Dipole, Da:	3.54
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations