Geometry & MOs

Info

ID:	294831
PubChem CID:	117499043
Reduced:	BrFNO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	312.97498
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	5.92
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C2=C3C(=CC(=C2F)Br)OCCO3)N=C=O

DOS

IR

Vibrations