Geometry & MOs

Info

ID:	370710
PubChem CID:	127339961
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	15.85
Dipole, Da:	2.4
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations