Geometry & MOs

Info

ID:

323325

PubChem CID:

126674170

Reduced:

OF6N7C24H25 (1)

Stoich.:

AB6C7D24E25 (1)

Weight, g/mol:

488.197001

ΔHf, kcal/mol:

-249.75

Dipole, Da:

1.61

IP(EA), eV:

 -8.84(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)N2CC3CCC(C2)C3NC4=NN5CCCC(C5=N4)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations