Geometry & MOs

Info

ID:

323336

PubChem CID:

126674291

Reduced:

SO2N6C24H24 (1)

Stoich.:

AB2C6D24E24 (1)

Weight, g/mol:

469.183793

ΔHf, kcal/mol:

67.31

Dipole, Da:

4.66

IP(EA), eV:

 -8.49(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)phenyl]-[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=NN5C=CC=C(C5=N4)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations