Geometry & MOs

Info

ID:	317559
PubChem CID:	126643438
Reduced:	N2F3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	376.160992
ΔH_f, kcal/mol:	-321.33
Dipole, Da:	3.13
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-[(2R)-2-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](CN1CC(COCC(F)(F)F)O)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations