Geometry & MOs

Info

ID:	238874
PubChem CID:	93165650
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	2.48
IP(EA), eV:	-8.31(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1[C@@H](C(C)C)C(=O)N3CCC(CC3)N

DOS

IR

Vibrations