Geometry & MOs

Info

ID:	10789
PubChem CID:	107974
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	2.37
IP(EA), eV:	-9.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7R,9R,11R)-11-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@](CC1=O)(C3([C@@H](C[C@H](C34CO4)O2)O)C)C

DOS

IR

Vibrations