Geometry & MOs

Info

ID:	201761
PubChem CID:	79577844
Reduced:	OSN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	11.16
IP(EA), eV:	-9.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-2-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCCC2CCCC2(C#N)N

DOS

IR

Vibrations