Geometry & MOs

Info

ID:	347628
PubChem CID:	127272494
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	1.75
IP(EA), eV:	-9.08(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations