Geometry & MOs

Info

ID:	129530
PubChem CID:	51072973
Reduced:	OSN2F3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	259.118399
ΔH_f, kcal/mol:	-187.3
Dipole, Da:	4.46
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations