Geometry & MOs

Info

ID:	347322
PubChem CID:	127272161
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexyloxymethyl)phenyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)NC2CCN(CC2)CC3CCCC3

DOS

IR

Vibrations