Geometry & MOs

Info

ID:

325477

PubChem CID:

126683490

Reduced:

O2N3C13H21 (1)

Stoich.:

A2B3C13D21 (1)

Weight, g/mol:

618.439658

ΔHf, kcal/mol:

-87.68

Dipole, Da:

3.72

IP(EA), eV:

 -9.36(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

piperidin-4-yl 3-[(1R)-1-[2-[(1R,4bS,8aR,10aS)-6-cyano-1,4b,8,8,10a-pentamethyl-3,7-dioxo-2,8a,9,10-tetrahydrophenanthren-1-yl]ethyl]-2,4,4-trimethylcyclohexyl]propanoate

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCC(CC1)C2=NC=CN2

DOS

IR

Vibrations