Geometry & MOs

Info

ID:	370748
PubChem CID:	127340110
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	2.94
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,3-benzoxazol-2-yl)piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1COC(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations