Geometry & MOs

Info

ID:	351706
PubChem CID:	127282106
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	339.215806
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	6.01
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CSN=N3

DOS

IR

Vibrations