Geometry & MOs

Info

ID:	227381
PubChem CID:	87561586
Reduced:	OSC4N4H6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	242.066697
ΔH_f, kcal/mol:	9.43
Dipole, Da:	6.84
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-cyanophenyl)ethyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C(C1=NSC(=N1)N)NC=O

DOS

IR

Vibrations