Geometry & MOs

Info

ID:	399500
PubChem CID:	135040620
Reduced:	F3O5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	176.156501
ΔH_f, kcal/mol:	-389.81
Dipole, Da:	3.81
IP(EA), eV:	-10.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-8a-ethenyl-5-methylidene-1,2,3,4,4a,6,7,8-octahydronaphthalene

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](CC(OC)OC)(C(F)(F)F)O

DOS

IR

Vibrations