Geometry & MOs

Info

ID:	369664
PubChem CID:	127334994
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	14.34
Dipole, Da:	3.57
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=CC=C3OCC4=CSC=N4)O

DOS

IR

Vibrations