Geometry & MOs

Info

ID:	51796
PubChem CID:	12014540
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	4.38
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxobicyclo[4.2.0]octane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=O)CCC2)C(C)(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations