Geometry & MOs

Info

ID:	356922
PubChem CID:	127292530
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	378.154804
ΔH_f, kcal/mol:	16.44
Dipole, Da:	1.14
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations