Geometry & MOs

Info

ID:	202272
PubChem CID:	79650076
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	5.74
IP(EA), eV:	-8.86(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)SC(C)CCO)C#N

DOS

IR

Vibrations