Geometry & MOs

Info

ID:	238918
PubChem CID:	93165728
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	6.34
IP(EA), eV:	-9.04(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations