Geometry & MOs

Info

ID:	133694
PubChem CID:	51576073
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	8.22
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@@H](C[C@H]1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)O

DOS

IR

Vibrations