Geometry & MOs

Info

ID:	381205
PubChem CID:	134971863
Reduced:	O2F3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-209.6
Dipole, Da:	1.67
IP(EA), eV:	-9.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C2CO[C@@H]([C@H]([C@H]2CC1=O)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations