Geometry & MOs

Info

ID:	263313
PubChem CID:	103355287
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	10.75
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N)O

DOS

IR

Vibrations