Geometry & MOs

Info

ID:	221013
PubChem CID:	85248207
Reduced:	ClOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	259.103142
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	4.13
IP(EA), eV:	-9.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-carboxy-2-methylpropyl)-ethylazanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C=CCCCC(=O)O

DOS

IR

Vibrations