Geometry & MOs

Info

ID:	53344
PubChem CID:	14710522
Reduced:	NC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	365.202465
ΔH_f, kcal/mol:	0.71
Dipole, Da:	4.91
IP(EA), eV:	-8.73(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(methoxymethyl)-1-[2-[(4-methylphenyl)sulfonylmethyl]cyclohexyl]pyrrolidine

Drug info:

PubChemData

Smile

C1CCC(C(C1)CC#N)N2CCCC2

DOS

IR

Vibrations