Geometry & MOs

Info

ID:	351458
PubChem CID:	127280346
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-141.61
Dipole, Da:	2.48
IP(EA), eV:	-9.02(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(oxane-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations