Geometry & MOs

Info

ID:	351502
PubChem CID:	127280390
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	7.39
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-ylmethoxy)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations