Geometry & MOs

Info

ID:	408958
PubChem CID:	135081730
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	4.71
Dipole, Da:	3.29
IP(EA), eV:	-9.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-7,9-dimethyl-8,11-dioxatetracyclo[4.3.3.01,6.07,9]dodeca-2,4-diene

Drug info:

PubChemData

Smile

C1[C@]23C=CC=C[C@@]2(CO1)C4C3O4

DOS

IR

Vibrations