Geometry & MOs

Info

ID:	129471
PubChem CID:	51072705
Reduced:	NO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	247.062027
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	5.57
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C(=O)NCC(F)(F)F

DOS

IR

Vibrations