Geometry & MOs

Info

ID:	283338
PubChem CID:	103976004
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	3.66
IP(EA), eV:	-9.37(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-tert-butylphenyl)sulfonylpyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)N

DOS

IR

Vibrations