Geometry & MOs

Info

ID:	323334
PubChem CID:	126674229
Reduced:	SF3N6H23C24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	346.05416
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	5.86
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-azabicyclo[3.2.1]octane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5C=CC=C(C5=N4)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations