Geometry & MOs

Info

ID:	132578
PubChem CID:	51382638
Reduced:	ClC3H3O3 (1)
Stoich.:	AB3C3D3 (1)
Weight, g/mol:	231.138505
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	4.59
IP(EA), eV:	-11.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-cyclohexyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)O1)Cl

DOS

IR

Vibrations