Geometry & MOs

Info

ID:	240908
PubChem CID:	93618146
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	3.95
IP(EA), eV:	-8.84(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylfuran-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations