Geometry & MOs

Info

ID:	198003
PubChem CID:	79030250
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-137.87
Dipole, Da:	3.0
IP(EA), eV:	-9.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

COCC(=O)N1CCC[C@@H]1CO

DOS

IR

Vibrations