Geometry & MOs

Info

ID:	357107
PubChem CID:	127293333
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	5.05
IP(EA), eV:	-8.45(0.63)
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-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)CCN2C=CN=C2

DOS

IR

Vibrations