Geometry & MOs

Info

ID:	367599
PubChem CID:	127325088
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	13.19
Dipole, Da:	4.96
IP(EA), eV:	-8.55(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCN(CC2C3=CC=CC=C3)C)C

DOS

IR

Vibrations