Geometry & MOs

Info

ID:	240905
PubChem CID:	93618137
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	22.26
Dipole, Da:	4.43
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC=NC=C2)C3=CSC=C3

DOS

IR

Vibrations