Geometry & MOs

Info

ID:	294148
PubChem CID:	117428183
Reduced:	BrFNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	268.98515
ΔH_f, kcal/mol:	-48.61
Dipole, Da:	3.8
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-fluoro-2-(1-isocyanatocyclobutyl)benzene

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=C(C=C2)F)Br)N=C=O

DOS

IR

Vibrations