Geometry & MOs

Info

ID:	370677
PubChem CID:	127339851
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	2.51
Dipole, Da:	2.97
IP(EA), eV:	-8.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCC(CC2)C3=CC=NN3C

DOS

IR

Vibrations