Geometry & MOs

Info

ID:	238656
PubChem CID:	92764884
Reduced:	ClF3N3O3C17H19 (1)
Stoich.:	AB3C3D3E17F19 (1)
Weight, g/mol:	489.144232
ΔH_f, kcal/mol:	-267.56
Dipole, Da:	5.38
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1COC(=O)[C@H]1N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations