Geometry & MOs

Info

ID:	224005
PubChem CID:	85336863
Reduced:	NO7C24H33 (1)
Stoich.:	AB7C24D33 (1)
Weight, g/mol:	449.16608
ΔH_f, kcal/mol:	-315.25
Dipole, Da:	2.43
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-[3-(1-benzofuran-4-yloxy)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-benzothiophen-4-ol

Drug info:

PubChemData

Smile

CCCCCOC(=O)NC=CCC1CC2CC(CC(O2)CC3=C(C(=CC=C3)O)C(=O)O1)O

DOS

IR

Vibrations