Geometry & MOs

Info

ID:	360733
PubChem CID:	127301378
Reduced:	O2F3N4C14H19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-198.07
Dipole, Da:	4.55
IP(EA), eV:	-9.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NC3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations