Geometry & MOs

Info

ID:	293783
PubChem CID:	117401533
Reduced:	NSO5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	6.42
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-isocyanatocyclobutyl)-7,8-dimethyl-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(C=C1CCON)OCO2

DOS

IR

Vibrations