Geometry & MOs

Info

ID:	361128
PubChem CID:	127302044
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	334.157581
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	3.26
IP(EA), eV:	-8.67(-0.79)
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-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations