Geometry & MOs

Info

ID:	372889
PubChem CID:	131306600
Reduced:	ClFO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	230.0146
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	3.55
IP(EA), eV:	-10.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloro-2-oxopropyl)-6-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC=C1F)C(=O)O)Cl

DOS

IR

Vibrations