Geometry & MOs

Info

ID:	295672
PubChem CID:	117542035
Reduced:	BrN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	321.97532
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	2.28
IP(EA), eV:	-9.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(4-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CCC1C(=O)NC2=C(O1)C=C(C=N2)Br

DOS

IR

Vibrations