Geometry & MOs

Info

ID:	401843
PubChem CID:	135052906
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	565.98911
ΔH_f, kcal/mol:	-76.28
Dipole, Da:	7.83
IP(EA), eV:	-8.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bis[(2,2,2-trifluoroacetyl)oxy]thallanyl-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=O)C2=C(O1)C=C(C3=CC=CC=C32)OC

DOS

IR

Vibrations