Geometry & MOs

Info

ID:	145441
PubChem CID:	53525046
Reduced:	F2N2O2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	1.09
IP(EA), eV:	-9.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxybenzoyl)-N-(6-piperidin-1-ylpyridin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations