Geometry & MOs

Info

ID:	369681
PubChem CID:	127335013
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	1.67
IP(EA), eV:	-9.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations