Geometry & MOs

Info

ID:	240906
PubChem CID:	93618141
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	4.11
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC[C@@H]1C2=CSC=C2

DOS

IR

Vibrations