Geometry & MOs

Info

ID:	157031
PubChem CID:	56413038
Reduced:	ClOF3N3H19C21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	472.200749
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	1.96
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC3=NN=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations