Geometry & MOs

Info

ID:	216093
PubChem CID:	85085698
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	224.032957
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	2.58
IP(EA), eV:	-9.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,3-dithiolane-2,9'-bicyclo[3.2.2]nona-3,6-diene]-2'-one

Drug info:

PubChemData

Smile

COC(=O)C(=[N+]=[N-])CCCCCCCC=C

DOS

IR

Vibrations