Geometry & MOs

Info

ID:	123542
PubChem CID:	50853314
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	286.124819
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	2.55
IP(EA), eV:	-8.83(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(C(CN1)CCO)CC2=CC=CC=C2

DOS

IR

Vibrations