Geometry & MOs

Info

ID:	126592
PubChem CID:	50969032
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	6.95
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1OCC)C(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations