Geometry & MOs

Info

ID:

412913

PubChem CID:

135085850

Reduced:

NO2C13H20 (1)

Stoich.:

AB2C13D20 (1)

Weight, g/mol:

334.214409

ΔHf, kcal/mol:

-41.42

Dipole, Da:

2.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754124

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,5'S,6'S,13'R)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadecane]-6'-ol

Drug info:

PubChemData

Smile

CC(C)OC(C#[N+]C(C)(C)C)C1=CC=CO1

DOS

IR

Vibrations