Geometry & MOs

Info

ID:	339114
PubChem CID:	127260493
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	272.081537
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	4.38
IP(EA), eV:	-10.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4,6-dihydroxyhexyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCC(C(CO)O)Cl

DOS

IR

Vibrations