Geometry & MOs

Info

ID:	11460
PubChem CID:	115889
Reduced:	Cl3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	297.993027
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	4.07
IP(EA), eV:	-9.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 5-tert-butylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(O1)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations