Geometry & MOs

Info

ID:

378487

PubChem CID:

134224572

Reduced:

ON4F5C22H24 (2)

Stoich.:

AB4C5D22E24 (2)

Weight, g/mol:

456.178453

ΔHf, kcal/mol:

-459.43

Dipole, Da:

12.39

IP(EA), eV:

 -8.92(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC1CN2CCC3=C(C2)C(=NN3)C(N4CCC(C(C4)CCN5CCC6=C(C5)C(=NN6)C(=O)N7CCC(CC7)C8=C(C(=C(C=C8)F)F)C(F)(F)F)C9=C(C(=C(C=C9)F)F)C(F)(F)F)O

DOS

IR

Vibrations