Geometry & MOs

Info

ID:	380266
PubChem CID:	134970658
Reduced:	NO5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	361.20732
ΔH_f, kcal/mol:	-225.13
Dipole, Da:	2.8
IP(EA), eV:	-11.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-11-oxo-12-oxatricyclo[6.3.1.01,6]dodec-9-ene-9-carbonitrile

Drug info:

PubChemData

Smile

CCCC(C)(C(C)C(CC)(C#N)C(=O)OC)OC(=O)OC

DOS

IR

Vibrations