Geometry & MOs

Info

ID:	22151
PubChem CID:	596099
Reduced:	ClFOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	198.024771
ΔH_f, kcal/mol:	-61.42
Dipole, Da:	4.16
IP(EA), eV:	-9.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-fluorophenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C=CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations