Geometry & MOs

Info

ID:	406935
PubChem CID:	135078952
Reduced:	BrN3O3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	209.024356
ΔH_f, kcal/mol:	32.46
Dipole, Da:	8.2
IP(EA), eV:	-9.03(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6,7-dimethyl-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)/C(=N\OCC(=O)C2=CC=C(C=C2)Br)/C#N

DOS

IR

Vibrations