Geometry & MOs

Info

ID:	293346
PubChem CID:	117385183
Reduced:	F2O2N3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	253.075036
ΔH_f, kcal/mol:	-106.59
Dipole, Da:	9.92
IP(EA), eV:	-9.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-6-(isocyanatomethyl)-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations