Geometry & MOs

Info

ID:	305653
PubChem CID:	124963825
Reduced:	ON2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	4.94
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=NC(=CC(=O)N2CC1)[C@H]3CCN(C3)CC(=O)N4CC[C@H]5CCCC[C@@H]5C4

DOS

IR

Vibrations