Geometry & MOs

Info

ID:	369651
PubChem CID:	127334981
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	5.14
IP(EA), eV:	-10.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-pyrazol-1-ylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)N(CC2=CN=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations