Geometry & MOs

Info

ID:	338088
PubChem CID:	127258719
Reduced:	ClO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	192.055322
ΔH_f, kcal/mol:	-193.75
Dipole, Da:	3.34
IP(EA), eV:	-10.52(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutyl 4-chlorobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations