Geometry & MOs

Info

ID:	295674
PubChem CID:	117542112
Reduced:	BrO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	332.01604
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	2.97
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C(OC2=C1N=C(C=C2)Br)C3=CC=NC=C3

DOS

IR

Vibrations