Geometry & MOs

Info

ID:	268347
PubChem CID:	103599002
Reduced:	FN3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	343.096834
ΔH_f, kcal/mol:	5.02
Dipole, Da:	4.42
IP(EA), eV:	-9.83(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-fluoro-2-nitrophenyl)prop-2-enoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C#N)C(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations