Geometry & MOs

Info

ID:	400051
PubChem CID:	135044856
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	272.214016
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	1.2
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclohex-3-en-1-yl]benzene

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC1=CC=CC=C1)SCC2=CC=CC=C2

DOS

IR

Vibrations