Geometry & MOs

Info

ID:	374082
PubChem CID:	131323500
Reduced:	BrNF3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	283.94327
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	2.45
IP(EA), eV:	-9.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(6-nitro-1,3-benzoxazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H](CC(F)F)N)Br)F

DOS

IR

Vibrations