Geometry & MOs

Info

ID:	16012
PubChem CID:	457824
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	1.52
IP(EA), eV:	-9.12(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9S,12R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2C(CC1)(C3(C(C[C@@H]([C@]34CO4)O2)OC(=O)C)C)C

DOS

IR

Vibrations