Geometry & MOs

Info

ID:	140939
PubChem CID:	52786635
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	6.78
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations