Geometry & MOs

Info

ID:	338086
PubChem CID:	127258717
Reduced:	ClO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	236.117922
ΔH_f, kcal/mol:	-171.77
Dipole, Da:	1.5
IP(EA), eV:	-10.57(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-hydroxyheptyl] 4-chlorobutanoate

Drug info:

PubChemData

Smile

C[C@@H](CO)COC(=O)CCCCl

DOS

IR

Vibrations