Geometry & MOs

Info

ID:	338087
PubChem CID:	127258718
Reduced:	ClO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	250.133572
ΔH_f, kcal/mol:	-188.47
Dipole, Da:	1.72
IP(EA), eV:	-10.58(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@H](CCOC(=O)CCCCl)O

DOS

IR

Vibrations