Geometry & MOs

Info

ID:	421067
PubChem CID:	135115310
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	3.38
IP(EA), eV:	-8.27(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxolan-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)SC2=CC=C(O2)CN3CCN4CCNC(=O)C4C3

DOS

IR

Vibrations