Geometry & MOs

Info

ID:	356611
PubChem CID:	127291837
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	330.197714
ΔH_f, kcal/mol:	-156.62
Dipole, Da:	8.98
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)[C@H]2COCC(=O)N2CC3=CC=CC=C3)O

DOS

IR

Vibrations