Geometry & MOs

Info

ID:	346683
PubChem CID:	127271187
Reduced:	ON3C10H15 (2)
Stoich.:	AB3C10D15 (2)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	4.6
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)CN3CCN(CC3)C4=C(C=CC=N4)C(=O)N

DOS

IR

Vibrations