Geometry & MOs

Info

ID:	4193
PubChem CID:	10945
Reduced:	ClFO2C5H8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	154.019685
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	2.4
IP(EA), eV:	-10.96(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-fluorobutanoate

Drug info:

PubChemData

Smile

COC(=O)CC(CF)Cl

DOS

IR

Vibrations