Geometry & MOs

Info

ID:	345157
PubChem CID:	127268917
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	4.13
IP(EA), eV:	-9.58(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(oxan-2-ylmethylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C)C

DOS

IR

Vibrations