Geometry & MOs

Info

ID:	369710
PubChem CID:	127335085
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	5.52
IP(EA), eV:	-8.95(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations