Geometry & MOs

Info

ID:	294085
PubChem CID:	117426886
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	6.32
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)OC)N

DOS

IR

Vibrations