Geometry & MOs

Info

ID:	238919
PubChem CID:	93165729
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	1.77
IP(EA), eV:	-9.11(-0.51)
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-4-ylethanone

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C2=CN=CC=C2)C(=O)N3CCNCC3

DOS

IR

Vibrations