Geometry & MOs

Info

ID:	320456
PubChem CID:	126661237
Reduced:	NOF3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	343.174771
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	4.66
IP(EA), eV:	-9.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C/C1=C(C(=CC(=C1)F)C2=CC(=C(C=C2)F)F)C)/C

DOS

IR

Vibrations