Geometry & MOs

Info

ID:	416907
PubChem CID:	135090754
Reduced:	NS2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	2.82
IP(EA), eV:	-9.02(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations