Geometry & MOs

Info

ID:	180582
PubChem CID:	76657401
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	387.18437
ΔH_f, kcal/mol:	-11.33
Dipole, Da:	1.49
IP(EA), eV:	-8.42(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-tert-butylsulfinyl-3-(2,4,5-trifluorophenyl)propan-2-yl]-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCCN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)C)O4)OC

DOS

IR

Vibrations