Geometry & MOs

Info

ID:	227127
PubChem CID:	87560299
Reduced:	NO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	198.086764
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	4.9
IP(EA), eV:	-9.67(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(trifluoromethyl)pentanoic acid

Drug info:

PubChemData

Smile

CN(C=O)C1CCO1

DOS

IR

Vibrations