Geometry & MOs

Info

ID:	347353
PubChem CID:	127272202
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	50.54
Dipole, Da:	5.93
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations