Geometry & MOs

Info

ID:	346684
PubChem CID:	127271188
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	27.66
Dipole, Da:	2.25
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations