Geometry & MOs

Info

ID:	296665
PubChem CID:	117588007
Reduced:	ClNOF3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	228.043185
ΔH_f, kcal/mol:	-223.05
Dipole, Da:	3.01
IP(EA), eV:	-9.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(trifluoromethylsulfanylmethyl)cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(COC(F)(F)F)N.Cl

DOS

IR

Vibrations