Geometry & MOs

Info

ID:	269796
PubChem CID:	103619057
Reduced:	FN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	-88.68
Dipole, Da:	7.28
IP(EA), eV:	-9.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-benzyl-5-fluoro-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=C(C(=CC(=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations