Geometry & MOs

Info

ID:	293167
PubChem CID:	117375373
Reduced:	FNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	249.080121
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	7.15
IP(EA), eV:	-9.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(fluoromethyl)-4-(1-isocyanatocyclobutyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)F)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations