Geometry & MOs

Info

ID:	360727
PubChem CID:	127301372
Reduced:	O2F3N3C16H24 (1)
Stoich.:	A2B3C3D16E24 (1)
Weight, g/mol:	384.17731
ΔH_f, kcal/mol:	-243.53
Dipole, Da:	3.36
IP(EA), eV:	-9.18(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCN(C2=O)CC(F)(F)F)C(=O)NCC3CC3

DOS

IR

Vibrations