Geometry & MOs

Info

ID:	25405
PubChem CID:	624319
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	278.95311
ΔH_f, kcal/mol:	73.08
Dipole, Da:	6.43
IP(EA), eV:	-8.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-methyl-[1]benzofuro[3,2-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=CC2=CNC3=CC=CC=C32)[N+](=O)[O-]

DOS

IR

Vibrations