Geometry & MOs

Info

ID:	323235
PubChem CID:	126673745
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	271.97965
ΔH_f, kcal/mol:	-25.25
Dipole, Da:	6.67
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-methyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

C[C@@H]1CNC2=C(C=C(C=C2O1)Br)[N+](=O)[O-]

DOS

IR

Vibrations