Geometry & MOs

Info

ID:	238899
PubChem CID:	93165697
Reduced:	SN2O3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-169.39
Dipole, Da:	3.44
IP(EA), eV:	-8.8(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-hydroxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCCC(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations