Geometry & MOs

Info

ID:	356610
PubChem CID:	127291836
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	3.78
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-benzyl-5-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]morpholin-3-one

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)C2CSCN2C(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations