Geometry & MOs

Info

ID:	295673
PubChem CID:	117542049
Reduced:	BrFN2O2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	318.99564
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	2.84
IP(EA), eV:	-9.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-methyl-2-pyridin-4-ylpyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(=O)NC3=C(O2)C=CC(=N3)Br)F

DOS

IR

Vibrations