Geometry & MOs

Info

ID:	274854
PubChem CID:	103812030
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	3.96
IP(EA), eV:	-8.44(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylcyclohexyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNCC(=O)NC1CCCCC1SC

DOS

IR

Vibrations