Geometry & MOs

Info

ID:	293781
PubChem CID:	117401200
Reduced:	NF2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-181.04
Dipole, Da:	1.59
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1,2-oxazol-3-yl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C2CNCCO2)F)OC)F

DOS

IR

Vibrations