Geometry & MOs

Info

ID:	141376
PubChem CID:	52870551
Reduced:	Cl2O2N4C21H29 (1)
Stoich.:	A2B2C4D21E29 (1)
Weight, g/mol:	438.158931
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.108683
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC2CC[NH+](CC2)CC3=NN=C(O3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations