Geometry & MOs

Info

ID:	283339
PubChem CID:	103976098
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	7.41
IP(EA), eV:	-9.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N

DOS

IR

Vibrations