Geometry & MOs

Info

ID:

305454

PubChem CID:

124807317

Reduced:

ON6C16H20 (1)

Stoich.:

AB6C16D20 (1)

Weight, g/mol:

347.282429

ΔHf, kcal/mol:

45.02

Dipole, Da:

3.24

IP(EA), eV:

 -8.79(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,8S,9R,10S,13S,14R,17S)-3',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-oxazolidine]-3-ol

Drug info:

PubChemData

Smile

CN([C@H]1C[C@]2(CCN(C2)C3=NC=CN=C3)OC1)C4=NC=CC=N4

DOS

IR

Vibrations