Geometry & MOs

Info

ID:	127951
PubChem CID:	51024508
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	2.26
IP(EA), eV:	-9.9(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,8S)-4,4-diethyl-8-hydroxy-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C=C[C@](O2)([C@@H](C1=O)C)COC(=O)C

DOS

IR

Vibrations