Geometry & MOs

Info

ID:	294332
PubChem CID:	117453357
Reduced:	F2N2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	282.081599
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	11.34
IP(EA), eV:	-9.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C(=CC=C2)OC)C(F)F

DOS

IR

Vibrations