Geometry & MOs

Info

ID:

397476

PubChem CID:

135030262

Reduced:

OC19H34 (1)

Stoich.:

AB19C34 (1)

Weight, g/mol:

465.27399

ΔHf, kcal/mol:

-111.0

Dipole, Da:

3.82

IP(EA), eV:

 -9.62(0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R)-10-[(E)-2-[(8'aR)-1',4'a-dimethyl-2'-methylidenespiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]ethenyl]-9-hydroxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

CCCCC[C@@]1([C@H](CC[C@]2([C@H]1CCC(=O)[C@@H]2C)C)C)C

DOS

IR

Vibrations