Geometry & MOs

Info

ID:	238900
PubChem CID:	93165699
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	2.58
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C2=CC(=CC=C2)O)C(=O)N3CCNCC3

DOS

IR

Vibrations