Geometry & MOs

Info

ID:	264310
PubChem CID:	103453522
Reduced:	ON2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	198.024771
ΔH_f, kcal/mol:	18.85
Dipole, Da:	5.53
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-fluorophenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC(=O)C=C

DOS

IR

Vibrations