Geometry & MOs

Info

ID:	349514
PubChem CID:	127275401
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	4.94
IP(EA), eV:	-7.91(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations