Geometry & MOs

Info

ID:	9904
PubChem CID:	94579
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	3.05
IP(EA), eV:	-9.7(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations