Geometry & MOs

Info

ID:

323326

PubChem CID:

126674172

Reduced:

SF3N6C24H27 (1)

Stoich.:

AB3C6D24E27 (1)

Weight, g/mol:

488.197001

ΔHf, kcal/mol:

-65.41

Dipole, Da:

9.67

IP(EA), eV:

 -8.41(-0.68)

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-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5CCCC(C5=N4)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations