Geometry & MOs

Info

ID:	19797
PubChem CID:	572916
Reduced:	BrN2O2H5C6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	215.95344
ΔH_f, kcal/mol:	16.9
Dipole, Da:	4.89
IP(EA), eV:	-10.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one

Drug info:

PubChemData

Smile

C1CC2=NON=C2C(=O)C1Br

DOS

IR

Vibrations