Geometry & MOs

Info

ID:	356602
PubChem CID:	127291828
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	7.48
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)C2=CC=CC(=C2)CN3C(=O)CNC3=O)O

DOS

IR

Vibrations