Geometry & MOs

Info

ID:	293005
PubChem CID:	117369721
Reduced:	NF2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-191.07
Dipole, Da:	1.77
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-isocyanatocyclopropyl)-4-(methoxymethyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CNCC(C1=C(C(=CC(=C1OC)F)F)OC)O

DOS

IR

Vibrations