Geometry & MOs

Info

ID:

222760

PubChem CID:

85332423

Reduced:

F3N7C28H30 (1)

Stoich.:

A3B7C28D30 (1)

Weight, g/mol:

522.236637

ΔHf, kcal/mol:

-25.62

Dipole, Da:

4.42

IP(EA), eV:

 -8.65(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2-aminopyridin-4-yl)methyl]piperidin-4-yl]-[4-[C-(3-fluoropyridin-2-yl)-N-(2,2,2-trifluoroethoxy)carbonimidoyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)N(C)CCN(C)C

DOS

IR

Vibrations