Geometry & MOs

Info

ID:	421707
PubChem CID:	135116454
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	348.154603
ΔH_f, kcal/mol:	35.77
Dipole, Da:	2.47
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2)(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=NC=CN=C5

DOS

IR

Vibrations