Geometry & MOs

Info

ID:	368179
PubChem CID:	127327730
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	1.77
IP(EA), eV:	-9.33(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(oxan-2-ylmethylsulfonyl)pyrrolidin-3-yl]pyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations