Geometry & MOs

Info

ID:	22550
PubChem CID:	597674
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	10.01
IP(EA), eV:	-9.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-hydroxy-3,3-dimethyl-10-(3-methylbutanoyl)-2-oxatricyclo[6.3.1.01,5]dodec-10-ene-9,12-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=C(C23C(CCC(C1=O)C2=O)CC(O3)(C)C)O

DOS

IR

Vibrations