Geometry & MOs

Info

ID:	268034
PubChem CID:	103597468
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	376.172168
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	2.16
IP(EA), eV:	-8.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC(=NC=C3)N4CCOCC4)OC

DOS

IR

Vibrations