Geometry & MOs

Info

ID:	21223
PubChem CID:	587712
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-196.15
Dipole, Da:	5.18
IP(EA), eV:	-9.63(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO

DOS

IR

Vibrations