Geometry & MOs

Info

ID:	381162
PubChem CID:	134971813
Reduced:	OF3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	242.079038
ΔH_f, kcal/mol:	-165.85
Dipole, Da:	3.12
IP(EA), eV:	-9.08(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,7R)-4,4-dimethyl-3,5,8,9-tetraoxatricyclo[5.2.2.02,6]undec-10-ene-10-carboxylate

Drug info:

PubChemData

Smile

C1CC=CC(C1)C(C(F)(F)F)OC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations