Geometry & MOs

Info

ID:	238682
PubChem CID:	92765062
Reduced:	N2O2C17H34 (1)
Stoich.:	A2B2C17D34 (1)
Weight, g/mol:	478.251481
ΔH_f, kcal/mol:	-132.67
Dipole, Da:	3.5
IP(EA), eV:	-8.37(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(4-benzylpiperazin-1-yl)propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CC(C1)(C)C)OC[C@H](CN2CCN(CC2)C)O

DOS

IR

Vibrations