Geometry & MOs

Info

ID:

27453

PubChem CID:

821418

Reduced:

OC5H8 (4)

Stoich.:

AB5C8 (4)

Weight, g/mol:

336.23006

ΔHf, kcal/mol:

-210.35

Dipole, Da:

3.9

IP(EA), eV:

 -9.94(2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R,4S,7R,9S,10S,12S,13S,14R)-5,5-bis(hydroxymethyl)-9,13-dimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-3,7-diol

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](CC([C@H]1[C@@H](C[C@@]34[C@H]2C[C@H]5[C@@H](C3)[C@]5(C4)C)O)(CO)CO)O

DOS

IR

Vibrations