Geometry & MOs

Info

ID:	330394
PubChem CID:	127247381
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	72.39
Dipole, Da:	5.06
IP(EA), eV:	-8.82(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations