Geometry & MOs

Info

ID:	240907
PubChem CID:	93618142
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	4.1
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-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