Geometry & MOs

Info

ID:

322088

PubChem CID:

126668551

Reduced:

O5N7C24H35 (1)

Stoich.:

A5B7C24D35 (1)

Weight, g/mol:

564.317492

ΔHf, kcal/mol:

-107.8

Dipole, Da:

5.44

IP(EA), eV:

 -9.01(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-1-[5-[(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propyl]-1-(3,3,3-trifluoropropanoyl)piperidin-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC[C@H](N)OC1=NC(=C(C(=N1)N(CC2=CC=CC(=C2)CN3CCCC3)CC(=O)OCC)[N+](=O)[O-])N

DOS

IR

Vibrations