Geometry & MOs

Info

ID:	385884
PubChem CID:	134980234
Reduced:	NaO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-316.7
Dipole, Da:	11.82
IP(EA), eV:	-8.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R)-2-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@]1(CCC=C[C@@H]1CC(=O)[O-])C(=O)OC.[Na+]

DOS

IR

Vibrations