Geometry & MOs

Info

ID:	360720
PubChem CID:	127301365
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	349.161326
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CN2CCCCC2CN3CCOCC3

DOS

IR

Vibrations