Geometry & MOs

Info

ID:	265875
PubChem CID:	103555938
Reduced:	Cl2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	277.993506
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	2.47
IP(EA), eV:	-9.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorothiophen-3-yl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations