Geometry & MOs

Info

ID:	264326
PubChem CID:	103454099
Reduced:	ClON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	208.065493
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	2.54
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-chlorophenyl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CC/C=C/C(=O)CC1=C(C(=NN1C)CC)Cl

DOS

IR

Vibrations