Geometry & MOs

Info

ID:	26472
PubChem CID:	649547
Reduced:	ClSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	4.86
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1CCOC)SCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations