Geometry & MOs

Info

ID:	360639
PubChem CID:	127301284
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	4.66
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CC=C2)N3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations