Geometry & MOs

Info

ID:	259456
PubChem CID:	103165933
Reduced:	ClOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	278.029892
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	3.47
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]thiophene

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)C(CC2CC(C2)OCC)Cl

DOS

IR

Vibrations