Geometry & MOs

Info

ID:	45574
PubChem CID:	10515128
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	5.57
IP(EA), eV:	-9.63(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,8aS)-2-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1[C@@H](/C(=C/C)/OC(=O)O1)C

DOS

IR

Vibrations