Geometry & MOs

Info

ID:	294832
PubChem CID:	117499045
Reduced:	BrFNO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	312.97498
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	3.29
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-fluoro-5-(1-isocyanatocyclobutyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=C3C(=C2Br)OCO3)F)N=C=O

DOS

IR

Vibrations