Geometry & MOs

Info

ID:

323332

PubChem CID:

126674192

Reduced:

N5F6H19C21 (1)

Stoich.:

A5B6C19D21 (1)

Weight, g/mol:

409.188958

ΔHf, kcal/mol:

-220.6

Dipole, Da:

3.37

IP(EA), eV:

 -9.02(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2CNC[C@@H]1C2NC3=NN4C(=CC=C(C4=N3)C5=CC(=CC=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations