Geometry & MOs

Info

ID:	360734
PubChem CID:	127301379
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	307.150761
ΔH_f, kcal/mol:	-197.11
Dipole, Da:	6.91
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#N)C3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations