Geometry & MOs

Info

ID:	388010
PubChem CID:	134987850
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	3.15
IP(EA), eV:	-9.83(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3,4,5-trimethoxy-2-methylbicyclo[3.2.0]hept-3-en-6-one

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]1C2CCCCC2

DOS

IR

Vibrations