Geometry & MOs

Info

ID:	238906
PubChem CID:	93165709
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	3.97
IP(EA), eV:	-8.67(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-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=C2O)C(=O)N3CCNCC3

DOS

IR

Vibrations