Geometry & MOs

Info

ID:	262507
PubChem CID:	103297437
Reduced:	BrFN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	294.101585
ΔH_f, kcal/mol:	-34.77
Dipole, Da:	5.58
IP(EA), eV:	-9.8(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-methyl-5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)NC2=C(C=CC=N2)Br)[N+](=O)[O-]

DOS

IR

Vibrations