Geometry & MOs

Info

ID:	220848
PubChem CID:	85240172
Reduced:	O7C12H22 (1)
Stoich.:	A7B12C22 (1)
Weight, g/mol:	278.097666
ΔH_f, kcal/mol:	-310.08
Dipole, Da:	1.47
IP(EA), eV:	-9.74(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfinyl)-2-methoxycyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C(OC2C(O1)COC(C2O)OC)(C)OC)OC

DOS

IR

Vibrations