Geometry & MOs

Info

ID:	139507
PubChem CID:	52544151
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	358.223198
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	7.12
IP(EA), eV:	-9.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-tert-butylphenoxy)propyl]-4-(2,2,2-trifluoroethyl)piperazine

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CCS(=O)(=O)C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations