Geometry & MOs

Info

ID:	259556
PubChem CID:	103168004
Reduced:	SO3C17H28 (1)
Stoich.:	AB3C17D28 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	6.0
IP(EA), eV:	-8.33(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)-4-ethylhexan-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2CCOC3(C2)CCSCC3

DOS

IR

Vibrations