Geometry & MOs

Info

ID:	360117
PubChem CID:	127300502
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	-64.66
Dipole, Da:	5.44
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations