Geometry & MOs

Info

ID:	133512
PubChem CID:	51538485
Reduced:	N2O2C25H35 (1)
Stoich.:	A2B2C25D35 (1)
Weight, g/mol:	365.174429
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	4.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901094
Charge, e:	1

Chem-info

IUPAC name:

[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methyl-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

COCCN1CCC[C@]2(C1)CC[NH+](C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations