Geometry & MOs

Info

ID:	365828
PubChem CID:	127318702
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	46.53
Dipole, Da:	4.78
IP(EA), eV:	-9.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=CS2)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations