Geometry & MOs

Info

ID:	353770
PubChem CID:	127285347
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	5.51
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(oxan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)CN3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations