Geometry & MOs

Info

ID:	228718
PubChem CID:	87565608
Reduced:	F3O5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	256.055858
ΔH_f, kcal/mol:	-372.45
Dipole, Da:	3.81
IP(EA), eV:	-11.31(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(3,3,3-trifluoro-2-oxopropyl)butanedioic acid

Drug info:

PubChemData

Smile

CCC(C)(C(C(=O)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations