Geometry & MOs

Info

ID:	268350
PubChem CID:	103599016
Reduced:	FO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	345.076099
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	3.7
IP(EA), eV:	-8.46(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)CNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations