Geometry & MOs

Info

ID:	268035
PubChem CID:	103597490
Reduced:	SN4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	82.67
Dipole, Da:	2.13
IP(EA), eV:	-8.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC(=C2)C3=NC(=CS3)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations