Geometry & MOs

Info

ID:	268346
PubChem CID:	103598998
Reduced:	FN4O4H11C17 (1)
Stoich.:	AB4C4D11E17 (1)
Weight, g/mol:	339.101919
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	8.13
IP(EA), eV:	-9.31(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=NN=CO3

DOS

IR

Vibrations