Geometry & MOs

Info

ID:

323329

PubChem CID:

126674185

Reduced:

N5F6C21H23 (1)

Stoich.:

A5B6C21D23 (1)

Weight, g/mol:

474.181351

ΔHf, kcal/mol:

-156.92

Dipole, Da:

3.44

IP(EA), eV:

 -8.49(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2CNCC1C2NC3=NN4C(CCC(C4=N3)C5=CC=C(C=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations