Geometry & MOs

Info

ID:	293506
PubChem CID:	117392004
Reduced:	ClFO2N3H7C10 (1)
Stoich.:	ABC2D3E7F10 (1)
Weight, g/mol:	255.009849
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	2.81
IP(EA), eV:	-8.77(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-fluoro-6-(1-isocyanatocyclopropyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C(C(=C2)C3=CC(=NN3)N)F)Cl

DOS

IR

Vibrations