Geometry & MOs

Info

ID:	293988
PubChem CID:	117421157
Reduced:	NF2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	267.0707
ΔH_f, kcal/mol:	-185.84
Dipole, Da:	5.17
IP(EA), eV:	-9.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-6-(1-isocyanatocyclobutyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OC(O3)(F)F)N=C=O

DOS

IR

Vibrations