Geometry & MOs

Info

ID:	359462
PubChem CID:	127298736
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-100.08
Dipole, Da:	6.71
IP(EA), eV:	-9.0(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)C3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations