Geometry & MOs

Info

ID:	276339
PubChem CID:	103822276
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	258.176585
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	4.79
IP(EA), eV:	-8.61(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CNCC1C(=O)NC2CCC(C2)SC

DOS

IR

Vibrations