Geometry & MOs

Info

ID:	338084
PubChem CID:	127258715
Reduced:	ClO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	194.070972
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	3.15
IP(EA), eV:	-10.39(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2-methylpropyl) 4-chlorobutanoate

Drug info:

PubChemData

Smile

CC(CCO)OC(=O)CCCCl

DOS

IR

Vibrations