Geometry & MOs

Info

ID:	368178
PubChem CID:	127327729
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	4.58
IP(EA), eV:	-9.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)CC3CCOC3

DOS

IR

Vibrations