Geometry & MOs

Info

ID:	265803
PubChem CID:	103547644
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	2.21
IP(EA), eV:	-9.12(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-propanoylphenoxy)butanoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CCC(CC2OCCO2)O

DOS

IR

Vibrations