Geometry & MOs

Info

ID:	388308
PubChem CID:	134988743
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	228.001178
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	2.68
IP(EA), eV:	-9.77(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-chlorophenyl)-3-methoxy-3-sulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC1(C(CC1=O)C=C)CC

DOS

IR

Vibrations