Geometry & MOs

Info

ID:	78496
PubChem CID:	49693360
Reduced:	ClFN3O3H23C24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	457.156848
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	3.48
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CCN(CC3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations