Geometry & MOs

Info

ID:	351466
PubChem CID:	127280354
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	6.64
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CSCC3=CN=CC=C3

DOS

IR

Vibrations