Geometry & MOs

Info

ID:	145847
PubChem CID:	53601753
Reduced:	FO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	346.186813
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	2.84
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-ethoxyethyl)piperazin-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)CC(C3=CC(=CC=C3)F)O)OC

DOS

IR

Vibrations