Geometry & MOs

Info

ID:

305279

PubChem CID:

124767951

Reduced:

N2O3H18C22 (1)

Stoich.:

A2B3C18D22 (1)

Weight, g/mol:

328.276616

ΔHf, kcal/mol:

41.85

Dipole, Da:

4.36

IP(EA), eV:

 -9.05(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8S,9R,10R,13S,14R,17R)-17-ethynyl-4,4,10,13-tetramethyl-2,3,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\C2=CC3=C(C=C2[N+](=O)[O-])N[C@H]([C@H]3O)C4=CC=CC=C4

DOS

IR

Vibrations