Geometry & MOs

Info

ID:	259268
PubChem CID:	103162361
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	258.048129
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	4.62
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations