Geometry & MOs

Info

ID:	371970
PubChem CID:	131283241
Reduced:	NOCl2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	261.91963
ΔH_f, kcal/mol:	3.01
Dipole, Da:	1.68
IP(EA), eV:	-10.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)C(=O)/C=C/Cl

DOS

IR

Vibrations