Geometry & MOs

Info

ID:

48612

PubChem CID:

11109951

Reduced:

N2O3C18H26 (1)

Stoich.:

A2B3C18D26 (1)

Weight, g/mol:

318.25588

ΔHf, kcal/mol:

-81.16

Dipole, Da:

5.33

IP(EA), eV:

-8.94(0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,8R,9S,10R,13S,14S,17S)-3,17-dimethoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C[C@@]([C@@H]1CCCN1CC#N)(C(OC)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations