Geometry & MOs

Info

ID:	146431
PubChem CID:	53688120
Reduced:	ClN2O3C6H9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	146.094294
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.22
IP(EA), eV:	-9.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl 2-hydroxyacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC(=NO1)Cl)N

DOS

IR

Vibrations