Geometry & MOs

Info

ID:	294216
PubChem CID:	117438016
Reduced:	FOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	274.129298
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	4.52
IP(EA), eV:	-9.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-piperazin-1-ylethyl)-6-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)F)F)C(=O)O

DOS

IR

Vibrations