Geometry & MOs

Info

ID:	255988
PubChem CID:	103136111
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	34.8
Dipole, Da:	3.42
IP(EA), eV:	-8.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-3-(5-methyloxolan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CNC(CC1CCSCC1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations