Geometry & MOs

Info

ID:	369694
PubChem CID:	127335034
Reduced:	FN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	9.73
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations