Geometry & MOs

Info

ID:	399458
PubChem CID:	135040400
Reduced:	N2F3O4C11H13 (1)
Stoich.:	A2B3C4D11E13 (1)
Weight, g/mol:	232.086622
ΔH_f, kcal/mol:	-307.09
Dipole, Da:	4.4
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,5S,8R,10R)-5-chloro-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(OC(=N1)C)NC(=O)C(F)(F)F

DOS

IR

Vibrations