Geometry & MOs

Info

ID:	295675
PubChem CID:	117542114
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	335.99097
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	2.4
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(=O)N(C3=C(O2)C=CC(=N3)Br)C

DOS

IR

Vibrations