Geometry & MOs

Info

ID:	129468
PubChem CID:	51072692
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	247.062027
ΔH_f, kcal/mol:	18.52
Dipole, Da:	2.87
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC=NC=C1)C2=CC=CC=C2

DOS

IR

Vibrations