Geometry & MOs

Info

ID:	339113
PubChem CID:	127260492
Reduced:	ClO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	3.59
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4,5-dihydroxypentyl) benzoate

Drug info:

PubChemData

Smile

C=CC1=C(C=CC(=C1)O)C(CCOC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations