Geometry & MOs

Info

ID:	141375
PubChem CID:	52870272
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	439.166757
ΔH_f, kcal/mol:	-124.38
Dipole, Da:	2.35
IP(EA), eV:	-8.64(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,6S)-4-[[1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-yl]methyl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)CC2CCN(CC2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations