Geometry & MOs

Info

ID:	228717
PubChem CID:	87565607
Reduced:	F3O5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	256.055858
ΔH_f, kcal/mol:	-382.26
Dipole, Da:	6.54
IP(EA), eV:	-11.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-methyl-3-(2,2,2-trifluoroacetyl)butanedioic acid

Drug info:

PubChemData

Smile

CC(CC(=O)C(F)(F)F)C(CC(=O)O)C(=O)O

DOS

IR

Vibrations