Geometry & MOs

Info

ID:	371868
PubChem CID:	131276263
Reduced:	FNOH6C11 (1)
Stoich.:	ABCD6E11 (1)
Weight, g/mol:	261.91963
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	5.57
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromo-5-fluorophenyl)-3-chloroprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2C(=C1)F)C#N)O

DOS

IR

Vibrations