Geometry & MOs

Info

ID:	287987
PubChem CID:	104304823
Reduced:	FSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)CO)N)F

DOS

IR

Vibrations