Geometry & MOs

Info

ID:	385855
PubChem CID:	134980154
Reduced:	OWC9H14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	296.063779
ΔH_f, kcal/mol:	82.8
Dipole, Da:	1.78
IP(EA), eV:	-6.51(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)sulfanyl-3-methoxycyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CCC(CC1)C(=[W])OC

DOS

IR

Vibrations