Geometry & MOs

Info

ID:	360722
PubChem CID:	127301367
Reduced:	O2F3N3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	378.187875
ΔH_f, kcal/mol:	-229.48
Dipole, Da:	4.76
IP(EA), eV:	-8.91(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCN(C2=O)CC(F)(F)F)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations