Geometry & MOs

Info

ID:	347952
PubChem CID:	127273014
Reduced:	ON5C17H31 (1)
Stoich.:	AB5C17D31 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-37.12
Dipole, Da:	6.1
IP(EA), eV:	-8.11(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)NCC(C)N2CCN(CC2)C

DOS

IR

Vibrations