Geometry & MOs

Info

ID:	351505
PubChem CID:	127280393
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-24.04
Dipole, Da:	5.47
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=NS3

DOS

IR

Vibrations