Geometry & MOs

Info

ID:	378511
PubChem CID:	134224597
Reduced:	NOSF3C15H24 (1)
Stoich.:	ABCD3E15F24 (1)
Weight, g/mol:	164.010959
ΔH_f, kcal/mol:	-217.19
Dipole, Da:	2.7
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3,5,10-trioxatricyclo[5.2.1.02,6]deca-1,6,8-trien-4-one

Drug info:

PubChemData

Smile

CCCCCC(CCCC)C1=CN=C(O1)SCC(F)(F)F

DOS

IR

Vibrations