Geometry & MOs

Info

ID:	369679
PubChem CID:	127335011
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	2.67
IP(EA), eV:	-9.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations