Geometry & MOs

Info

ID:	52759
PubChem CID:	12015874
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	3.13
IP(EA), eV:	-9.72(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8E,8aR)-8-(3-methylbut-2-enoxymethylidene)-1,2,3,4,5,6,7,8a-octahydronaphthalen-4a-ol

Drug info:

PubChemData

Smile

C=C1CCCC[C@@H]1[C@@]23CCC[C@@]4([C@@H]2CCCC4)OC3O

DOS

IR

Vibrations