Geometry & MOs

Info

ID:	363355
PubChem CID:	127310889
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	8.72
Dipole, Da:	3.37
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)C2=NC(=NC=C2)C3CC3

DOS

IR

Vibrations