Geometry & MOs

Info

ID:	419863
PubChem CID:	135109449
Reduced:	NCl2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	318.144038
ΔH_f, kcal/mol:	-153.33
Dipole, Da:	3.8
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)OC[C@@H]1O)O

DOS

IR

Vibrations