Geometry & MOs

Info

ID:	274920
PubChem CID:	103812530
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	258.176585
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	3.09
IP(EA), eV:	-8.81(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)[C@H]1CCCCN1)SC

DOS

IR

Vibrations