Geometry & MOs

Info

ID:	338085
PubChem CID:	127258716
Reduced:	ClO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	194.070972
ΔH_f, kcal/mol:	-171.78
Dipole, Da:	1.48
IP(EA), eV:	-10.56(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-hydroxy-2-methylpropyl] 4-chlorobutanoate

Drug info:

PubChemData

Smile

CC(CO)COC(=O)CCCCl

DOS

IR

Vibrations