Geometry & MOs

Info

ID:	246190
PubChem CID:	103048186
Reduced:	ClFO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	284.109169
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	2.52
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(CC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations