Geometry & MOs

Info

ID:	399410
PubChem CID:	135040146
Reduced:	OC19H30 (1)
Stoich.:	AB19C30 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	1.79
IP(EA), eV:	-8.88(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,6S)-2-ethenyl-3,6-dimethyl-4-oxotricyclo[4.3.0.01,3]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC#CC1=CCC[C@]12CCCC[C@H]2OC

DOS

IR

Vibrations