Geometry & MOs

Info

ID:	320436
PubChem CID:	126660967
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	329.159121
ΔH_f, kcal/mol:	31.65
Dipole, Da:	3.79
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-3-(4-fluorophenyl)-2-methylphenyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C(N)O)N1C=C(C=N1)C2=C3C=CNC3=NC=C2

DOS

IR

Vibrations