Geometry & MOs

Info

ID:	360726
PubChem CID:	127301371
Reduced:	SN2F3O3C13H21 (1)
Stoich.:	AB2C3D3E13F21 (1)
Weight, g/mol:	347.182062
ΔH_f, kcal/mol:	-300.31
Dipole, Da:	7.22
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations