Geometry & MOs

Info

ID:	327747
PubChem CID:	126690954
Reduced:	O2N3F6C14H15 (1)
Stoich.:	A2B3C6D14E15 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-367.75
Dipole, Da:	3.81
IP(EA), eV:	-9.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN=CC=C2)C(=O)OC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations