Geometry & MOs

Info

ID:	411623
PubChem CID:	135084455
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	16.61
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-methylsulfanylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=CC(=O)CCl

DOS

IR

Vibrations