Geometry & MOs

Info

ID:	365174
PubChem CID:	127316978
Reduced:	F3O3N4C18H19 (1)
Stoich.:	A3B3C4D18E19 (1)
Weight, g/mol:	378.166746
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	7.71
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2CN(CCO2)C3CCN(C3=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations