Geometry & MOs

Info

ID:

302733

PubChem CID:

124393846

Reduced:

NOC10H10 (2)

Stoich.:

ABC10D10 (2)

Weight, g/mol:

332.27153

ΔHf, kcal/mol:

-3.84

Dipole, Da:

8.19

IP(EA), eV:

 -8.99(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,5R,8R,9R,10S,13S,14R,16R,17R)-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations