Geometry & MOs

Info

ID:	151914
PubChem CID:	56310739
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	3.81
IP(EA), eV:	-8.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O

DOS

IR

Vibrations