Geometry & MOs

Info

ID:	295668
PubChem CID:	117541882
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	0.81
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-butylpyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)COC2=C1N=CC(=C2)Br

DOS

IR

Vibrations