Geometry & MOs

Info

ID:	338089
PubChem CID:	127258720
Reduced:	ClO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	220.086622
ΔH_f, kcal/mol:	-163.01
Dipole, Da:	3.38
IP(EA), eV:	-10.46(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxohexyl 4-chlorobutanoate

Drug info:

PubChemData

Smile

CC(=O)CCOC(=O)CCCCl

DOS

IR

Vibrations