Geometry & MOs

Info

ID:	346680
PubChem CID:	127271184
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	4.89
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-4-[[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations