Geometry & MOs

Info

ID:	197998
PubChem CID:	79027770
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	3.35
IP(EA), eV:	-8.61(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N[C@H](C)CO

DOS

IR

Vibrations