Geometry & MOs

Info

ID:	372443
PubChem CID:	131297725
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	2.79
IP(EA), eV:	-10.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-chloro-2-oxopropyl)-3-(hydroxymethyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations