Geometry & MOs

Info

ID:	387746
PubChem CID:	134986692
Reduced:	NOF3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	4.79
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxyspiro[2-benzofuran-3,2'-oxane]-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2(C(F)(F)F)O)N=CC=C3

DOS

IR

Vibrations