Geometry & MOs

Info

ID:	288711
PubChem CID:	104324131
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	215.134385
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	4.47
IP(EA), eV:	-8.79(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylsulfanylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N2CC3CCC(C3C2)O)N

DOS

IR

Vibrations