Geometry & MOs

Info

ID:	18943
PubChem CID:	551341
Reduced:	O2Cl3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	231.982463
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	3.24
IP(EA), eV:	-10.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 2,2,2-trichloroacetate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations