Geometry & MOs

Info

ID:	223417
PubChem CID:	85335011
Reduced:	FO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	338.18167
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	6.77
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,8-trimethyl-3-(4-pyridin-3-ylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C1=CC3=CC=C(C=C3)OC)C=CC(=C2)F)CC(=O)O

DOS

IR

Vibrations