Geometry & MOs

Info

ID:	284033
PubChem CID:	104028975
Reduced:	BrN2F3O3C12H12 (1)
Stoich.:	AB2C3D3E12F12 (1)
Weight, g/mol:	355.96081
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	7.15
IP(EA), eV:	-10.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2,3-difluorophenyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)N(CC(F)(F)F)C(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations