Geometry & MOs

Info

ID:	196992
PubChem CID:	78906427
Reduced:	FOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	272.077262
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	0.8
IP(EA), eV:	-9.15(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2=CC=CC=C2F

DOS

IR

Vibrations