Geometry & MOs

Info

ID:	411587
PubChem CID:	135084419
Reduced:	BrFOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	272.0007
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	3.69
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(3,4-dichlorophenyl)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(F)Br

DOS

IR

Vibrations