Geometry & MOs

Info

ID:	363383
PubChem CID:	127310920
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	334.157581
ΔH_f, kcal/mol:	16.17
Dipole, Da:	3.4
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=NC(=NC=C2)C3CC3)C

DOS

IR

Vibrations