Geometry & MOs

Info

ID:	369680
PubChem CID:	127335012
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	88.36
Dipole, Da:	5.39
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5)O

DOS

IR

Vibrations