Geometry & MOs

Info

ID:	391757
PubChem CID:	135009258
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-177.57
Dipole, Da:	3.02
IP(EA), eV:	-8.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-1-(2,5-dimethoxy-4-methylphenyl)spiro[6-oxabicyclo[3.2.0]heptane-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)[C@]3(C[C@@H](CC3(C)C)OC(=O)C)CO2

DOS

IR

Vibrations