Geometry & MOs

Info

ID:	352469
PubChem CID:	127283557
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	4.83
Dipole, Da:	8.77
IP(EA), eV:	-9.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)N2CCCC(C2)N3C=NC=N3)C(=O)C4CC4

DOS

IR

Vibrations