Geometry & MOs

Info

ID:	314761
PubChem CID:	126623018
Reduced:	BrON2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	214.019685
ΔH_f, kcal/mol:	13.93
Dipole, Da:	1.23
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid

Drug info:

PubChemData

Smile

C1=C2C=NNC2=CC(=C1Br)CO

DOS

IR

Vibrations