Geometry & MOs

Info

ID:	201797
PubChem CID:	79586681
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-148.89
Dipole, Da:	1.45
IP(EA), eV:	-8.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC1(CCCC1CCSCCOC)C(=O)OC

DOS

IR

Vibrations