Geometry & MOs

Info

ID:	369674
PubChem CID:	127335004
Reduced:	ClSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	8.17
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-2-methylpyrazol-3-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=N2)C(=O)N3C4CCC3CC(C4)O)Cl

DOS

IR

Vibrations